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Una clase grande y estructuralmente diversa de productos naturales derivados de cuatro unidades de isopreno C5 unidas en un formato de cabeza-cola; la base de compuestos biológicamente importantes como retinol, retinal y fitol; antimicrobianos y antiinflamatorios.
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1

Geranil linalool, aprox. 95 %, téc., mezcla de isómeros, Thermo Scientific Chemicals

CAS: 1113-21-9 Fórmula molecular: C20H34O Peso molecular (g/mol): 290.49 Número MDL: MFCD00059363 Clave InChI: IQDXAJNQKSIPGB-HQSZAHFGNA-N Sinónimo: geranyl linalool,geranyllinalool,3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol,e,e-geranyllinalool,6e,10e-geranyllinalool,3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,6e,10e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,e,e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, 6e,10e,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl PubChem CID: 5365872 ChEBI: CHEBI:74299 Nombre IUPAC: (6E,10E)-3,7,11,15-tetrametilhexadeca-1,6,10,14-tetraen-3-ol SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C

Sinónimo geranyl linalool,geranyllinalool,3,7,11,15-tetramethyl-1,6,10,14-hexadecatetraen-3-ol,e,e-geranyllinalool,6e,10e-geranyllinalool,3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,6e,10e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,e,e-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, 6e,10e,1,6,10,14-hexadecatetraen-3-ol, 3,7,11,15-tetramethyl
Clave InChI IQDXAJNQKSIPGB-HQSZAHFGNA-N
PubChem CID 5365872
Fórmula molecular C20H34O
CAS 1113-21-9
ChEBI CHEBI:74299
Peso molecular (g/mol) 290.49
Número MDL MFCD00059363
SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C
Nombre IUPAC (6E,10E)-3,7,11,15-tetrametilhexadeca-1,6,10,14-tetraen-3-ol
2

Farnesilacetona, mezcla de isómeros, 97 %, Thermo Scientific Chemicals

CAS: 762-29-8 Fórmula molecular: C18H30O Peso molecular (g/mol): 262.437 Número MDL: MFCD00036517 Clave InChI: LTUMRKDLVGQMJU-IUBLYSDUSA-N Sinónimo: farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl PubChem CID: 1711945 ChEBI: CHEBI:67252 Nombre IUPAC: (5E,9E)-6,10,14-Trimetilpentadeca-5,9,13-trien-2-ona SMILES: CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C

Sinónimo farnesyl acetone,5e,9e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,farnesylacetone,e,e-farnesylacetone,unii-3s0g4n267h,e,e-6,10,14-trimethylpentadeca-5,9,13-trien-2-one,trans,trans-farnesylacetone,5,9,13-pentadecatrien-2-one, 6,10,14-trimethyl-, e,e,2,6,10-trimethyl-2,6,10-pentadecatrien-14-one,5,9,13-pentadecatriene-2-one, 6,10,14-trimethyl
Clave InChI LTUMRKDLVGQMJU-IUBLYSDUSA-N
PubChem CID 1711945
Fórmula molecular C18H30O
CAS 762-29-8
ChEBI CHEBI:67252
Peso molecular (g/mol) 262.437
Número MDL MFCD00036517
SMILES CC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C
Nombre IUPAC (5E,9E)-6,10,14-Trimetilpentadeca-5,9,13-trien-2-ona
3

10-Deacetil-7,10-dimetoxi-Baccatin III, TRC

CAS: 183133-94-0 Fórmula molecular: C31 H40 O10 Peso molecular (g/mol): 572.64 Sinónimo: (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,[2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,CBT-1A Nombre IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetiloxi-1,15-dihidroxi-9,12-dimetoxi-10,14,17,17-tetrametil-11-oxo-6-oxtetratetraciclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoato SMILES: CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](O)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C

Sinónimo (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,[2aR-(2aα,4β,4aβ,6β,9α,11α,12α,12aα,12bα)]-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one,CBT-1A
Fórmula molecular C31 H40 O10
CAS 183133-94-0
Peso molecular (g/mol) 572.64
SMILES CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](O)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C
Nombre IUPAC [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetiloxi-1,15-dihidroxi-9,12-dimetoxi-10,14,17,17-tetrametil-11-oxo-6-oxtetratetraciclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoato
4

Thermo Scientific Chemicals Paclitaxel, + 99 %

CAS: 33069-62-4 Fórmula molecular: C47H51NO14 Peso molecular (g/mol): 853.92 Número MDL: MFCD00869953 Clave InChI: RCINICONZNJXQF-VAZQATRQSA-N Sinónimo: paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel PubChem CID: 133640187 Nombre IUPAC: benzoato de (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetiloxi)-1,9-dihidroxi-15-{[(2R,3S)-2-hidroxi-3-fenil-3-(fenilformamido)propanoil]oxi}-10,14,17,17-tetrametil-11-oxo-6-oxatetraciclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-il SMILES: CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1

Sinónimo paclitaxel,taxol,taxol a,abraxane,paxene,paxceed,plaxicel,yewtaxan,onxol,ebetaxel
Clave InChI RCINICONZNJXQF-VAZQATRQSA-N
PubChem CID 133640187
Fórmula molecular C47H51NO14
CAS 33069-62-4
Peso molecular (g/mol) 853.92
Número MDL MFCD00869953
SMILES CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C3=CC=CC=C3)C3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)C1=CC=CC=C1)C1=CC=CC=C1
Nombre IUPAC benzoato de (1S,2S,4S,7R,9S,10S,12R,15S)-4,12-bis(acetiloxi)-1,9-dihidroxi-15-{[(2R,3S)-2-hidroxi-3-fenil-3-(fenilformamido)propanoil]oxi}-10,14,17,17-tetrametil-11-oxo-6-oxatetraciclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-il
5

2,6,10,14-tetrametilpentadecano, 95 %, Thermo Scientific Chemicals

CAS: 1921-70-6 Fórmula molecular: C19H40 Peso molecular (g/mol): 268.51 Clave InChI: XOJVVFBFDXDTEG-UHFFFAOYSA-N Sinónimo: pristane,norphytane,bute hydrocarbon,norphytan,pristan,pentadecane, 2,6,10,14-tetramethyl,meso-pristane,2,6,10,10-tetramethylpentadecane,meso-form,norphytane, robuoy PubChem CID: 15979 ChEBI: CHEBI:53181 Nombre IUPAC: 2,6,10,14-tetrametilpentadecano SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)C

Sinónimo pristane,norphytane,bute hydrocarbon,norphytan,pristan,pentadecane, 2,6,10,14-tetramethyl,meso-pristane,2,6,10,10-tetramethylpentadecane,meso-form,norphytane, robuoy
Clave InChI XOJVVFBFDXDTEG-UHFFFAOYSA-N
PubChem CID 15979
Fórmula molecular C19H40
CAS 1921-70-6
ChEBI CHEBI:53181
Peso molecular (g/mol) 268.51
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)C
Nombre IUPAC 2,6,10,14-tetrametilpentadecano
6

Thermo Scientific Chemicals Docetaxel, 98 %

CAS: 114977-28-5 Fórmula molecular: C43H53NO14 Peso molecular (g/mol): 807.88 Clave InChI: ZDZOTLJHXYCWBA-VCVYQWHSSA-N Sinónimo: docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl PubChem CID: 148124 ChEBI: CHEBI:4672 SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O

Sinónimo docetaxel,taxotere,docetaxel anhydrous,docetaxol,emdoc,docetaxel, trihydrate,docetaxel inn,taxotere tn,unii-699121phca,txl
Clave InChI ZDZOTLJHXYCWBA-VCVYQWHSSA-N
PubChem CID 148124
Fórmula molecular C43H53NO14
CAS 114977-28-5
ChEBI CHEBI:4672
Peso molecular (g/mol) 807.88
SMILES CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
7

Isofitol, 95 %, Thermo Scientific Chemicals

CAS: 505-32-8 Fórmula molecular: C20H40O Peso molecular (g/mol): 296.539 Número MDL: MFCD00048380 Clave InChI: KEVYVLWNCKMXJX-UHFFFAOYSA-N Sinónimo: isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474 PubChem CID: 10453 Nombre IUPAC: 3,7,11,15-Tetrametilhexadec-1-en-3-ol SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O

Sinónimo isophytol,3,7,11,15-tetramethyl-1-hexadecen-3-ol,1-hexadecen-3-ol, 3,7,11,15-tetramethyl,2,6,10,14-tetramethylhexadec-15-en-14-ol,2,6,10-trimethyl-14-vinylpentadecan-14-ol,1-hexadecene-3-ol, 3,7,11,15-tetramethyl,1-phyten-3-ol,iso-phytol,dsstox_cid_5474
Clave InChI KEVYVLWNCKMXJX-UHFFFAOYSA-N
PubChem CID 10453
Fórmula molecular C20H40O
CAS 505-32-8
Peso molecular (g/mol) 296.539
Número MDL MFCD00048380
SMILES CC(C)CCCC(C)CCCC(C)CCCC(C)(C=C)O
Nombre IUPAC 3,7,11,15-Tetrametilhexadec-1-en-3-ol
8

Crocetina, ácido libre, > 90%, MP Biomedicals™

CAS: 27876-94-4 Fórmula molecular: C20H24O4 Peso molecular (g/mol): 328.408 Clave InChI: PANKHBYNKQNAHN-MQQNZMFNSA-N Sinónimo: crocetin,trans-crocetin,8,8'-diapocarotenedioic acid,natural yellow 6,8,8'-diapocarotene-8,8'-dioic acid,8,8'-diapo-psi,psi-carotenedioic acid,ccris 7484,unii-20tc155l9c,2e,4e,6e,8e,10e,12e,14e-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid,.alpha.-crocetin PubChem CID: 5281232 ChEBI: CHEBI:3918 Nombre IUPAC: Ácido (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetrametilhexadeca-2,4,6,8,10,12,14-heptanoico SMILES: CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O

Sinónimo crocetin,trans-crocetin,8,8'-diapocarotenedioic acid,natural yellow 6,8,8'-diapocarotene-8,8'-dioic acid,8,8'-diapo-psi,psi-carotenedioic acid,ccris 7484,unii-20tc155l9c,2e,4e,6e,8e,10e,12e,14e-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid,.alpha.-crocetin
Clave InChI PANKHBYNKQNAHN-MQQNZMFNSA-N
PubChem CID 5281232
Fórmula molecular C20H24O4
CAS 27876-94-4
ChEBI CHEBI:3918
Peso molecular (g/mol) 328.408
SMILES CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O
Nombre IUPAC Ácido (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetrametilhexadeca-2,4,6,8,10,12,14-heptanoico
9

Geranilgeraniol (natural), TRC

Moléculas orgánicas de alta pureza y estándares analíticos, entregados estratégicamente en todo el mundo para potenciar la innovación y el éxito comercial.

Sinónimo (2E,6E,10E)-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-ol,(E,E,E)- 3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraen-1-ol,(E,E,E)-Geranylgeraniol,All-trans-Geranylgeraniol,trans,trans,trans-Geranylgeraniol,trans-Geranylgeraniol
Fórmula molecular C20 H34 O
Fórmula InChI InChI=1S/C20H34O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h9,11,13,15,21H,6-8,10,12,14,16H2,1-5H3/b18-11+,19-13+,20-15+
CAS 24034-73-9
Nombre del producto químico o material Geranylgeraniol (mixture of isomers)
Almacenamiento recomendado -86 °C
Peso molecular (g/mol) 290.48
SMILES CC(=CCC\C(=C\CC\C(=C\CC\C(=C\CO)\C)\C)\C)C
Nombre IUPAC (2E,6E,10E)-3,7,11,15-tetrametilhexadeca-2,6,10,14-tetraen-1-ol
Formula Weight (peso de la fórmula) 290.261
10

Crocetin, TRC

CAS: 27876-94-4 Fórmula molecular: C20 H24 O4 Peso molecular (g/mol): 328.4 Sinónimo: 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI),8,8'-Diapo-ψ,ψ-carotenedioic acid,Crocetin (6CI),(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid,Apocarotenic acid,Crocetin (stable),NSC 407300,Stable crocetin,Transcrocetin,trans-Crocetin,α-Crocetin Nombre IUPAC: Ácido (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetrametilhexadeca-2,4,6,8,10,12,14-heptanoico SMILES: C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)\C=C\C=C(/C)\C(=O)O

Sinónimo 2,4,6,8,10,12,14-Hexadecaheptaenedioic acid, 2,6,11,15-tetramethyl-, (all-E)- (8CI),8,8'-Diapo-ψ,ψ-carotenedioic acid,Crocetin (6CI),(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioic acid,Apocarotenic acid,Crocetin (stable),NSC 407300,Stable crocetin,Transcrocetin,trans-Crocetin,α-Crocetin
Fórmula molecular C20 H24 O4
CAS 27876-94-4
Peso molecular (g/mol) 328.4
SMILES C\C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C(=O)O)\C=C\C=C(/C)\C(=O)O
Nombre IUPAC Ácido (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetrametilhexadeca-2,4,6,8,10,12,14-heptanoico
11

trans-Phytol, TRC

CAS: 150-86-7 Fórmula molecular: C20H40O Peso molecular (g/mol): 296.53 Sinónimo: [R-[R*,R*-(E)]]- 3,7,11,15-tetramethyl-2-hexadecen-1-ol,Phytol (6CI,8CI),(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol,(7R,11R,2E)-Phytol;(E)-Phytol,(E,R,R)-Phytol,3,7,11,15-Tetramethylhexadec-2-en-1-ol Nombre IUPAC: (E,7R,11R)-3,7,11,15-tetrametilhexadec-2-en-1-ol SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(=C\CO)\C

Sinónimo [R-[R*,R*-(E)]]- 3,7,11,15-tetramethyl-2-hexadecen-1-ol,Phytol (6CI,8CI),(2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol,(7R,11R,2E)-Phytol;(E)-Phytol,(E,R,R)-Phytol,3,7,11,15-Tetramethylhexadec-2-en-1-ol
Fórmula molecular C20H40O
CAS 150-86-7
Peso molecular (g/mol) 296.53
SMILES CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC\C(=C\CO)\C
Nombre IUPAC (E,7R,11R)-3,7,11,15-tetrametilhexadec-2-en-1-ol
12

Cabazitaxel, TRC

CAS: 183133-96-2 Fórmula molecular: C45 H57 N O14 Peso molecular (g/mol): 835.93 Sinónimo: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-,Cabazitaxel,DEP cabazitaxel,Jevtana,TXD 258,XRP 6258,(αR,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoic acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester Nombre IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetiloxi-1-hidroxi-15-[(2R,3S)-2-hidroxi-3-[(2-metilpropano-2-il)oxicarbonilamino]-3-fenilpropanoil]oxi-9,12-dimetoxi-10,14,17,17-tetrametil-11-oxo-6-oxtetratetraciclo[11.3.03,10.04,7]heptadec-13-en-2-il] benzoato SMILES: CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C

Sinónimo Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-,Cabazitaxel,DEP cabazitaxel,Jevtana,TXD 258,XRP 6258,(αR,βS)-β-[[(1,1-Dimethylethoxy)carbonyl]amino]-α-hydroxybenzenepropanoic acid (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester
Fórmula molecular C45 H57 N O14
CAS 183133-96-2
Peso molecular (g/mol) 835.93
SMILES CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C
Nombre IUPAC [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetiloxi-1-hidroxi-15-[(2R,3S)-2-hidroxi-3-[(2-metilpropano-2-il)oxicarbonilamino]-3-fenilpropanoil]oxi-9,12-dimetoxi-10,14,17,17-tetrametil-11-oxo-6-oxtetratetraciclo[11.3.03,10.04,7]heptadec-13-en-2-il] benzoato
13

10-Oxo Docetaxel, TRC

CAS: 167074-97-7 Fórmula molecular: C43 H51 N O14 Peso molecular (g/mol): 805.86 Sinónimo: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,9α(αR*,βS*),11α,12α,12aα,12bα]]-,5β,20-Epoxy-1,7β-dihydroxy-9,10-dioxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate,10-Deoxy-10-oxodocetaxel,Docetaxel Trihydrate Imp B (EP),6-Oxodocetaxel,(2aR,4S,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserine Nombre IUPAC: [(1S,2S,3R,4S,7R,9S,10S,15S)-4-acetiloxi-1,9-dihidroxi-15-[(2R,3S)-2-hidroxi-3-[(2-metilpropano-2-il)oxicarbonilamino]-3-fenilpropanoil]oxi-10,14,17,17-tetrametil-11,12-dioxo-6-oxtetratetraciclo[11.3.1.03,10.04,7]heptadec-13-en-2-il] benzoato SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(=O)C3=O)C5(C)C)C

Sinónimo Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5,6-dioxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,9α(αR*,βS*),11α,12α,12aα,12bα]]-,5β,20-Epoxy-1,7β-dihydroxy-9,10-dioxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate,10-Deoxy-10-oxodocetaxel,Docetaxel Trihydrate Imp B (EP),6-Oxodocetaxel,(2aR,4S,4aS,9S,11S,12S,12aR,12bS)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-Dodecahydro-4,9,11,12,12b-pentahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5,6-dione 12b-acetate 12-benzoate 9-ester with (2R,3S)-N-tert-butoxycarbonyl-3-phenylisoserine
Fórmula molecular C43 H51 N O14
CAS 167074-97-7
Peso molecular (g/mol) 805.86
SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C(C(=O)C3=O)C5(C)C)C
Nombre IUPAC [(1S,2S,3R,4S,7R,9S,10S,15S)-4-acetiloxi-1,9-dihidroxi-15-[(2R,3S)-2-hidroxi-3-[(2-metilpropano-2-il)oxicarbonilamino]-3-fenilpropanoil]oxi-10,14,17,17-tetrametil-11,12-dioxo-6-oxtetratetraciclo[11.3.1.03,10.04,7]heptadec-13-en-2-il] benzoato
14

Docetaxel, TRC

CAS: 114977-28-5 Fórmula molecular: C43 H53 N O14 Peso molecular (g/mol): 807.88 Sinónimo: Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,5β,20-Epoxy-1,7β,10β-trihydroxy-9-oxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate],Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,Docetaxel,Docetaxol,Docetere,Duopafei,N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol,RP 56976,SID 530,Taxotel,Taxotere Nombre IUPAC: 5,20-Epoxi-1,7,10-trihidroxi-9-oxotax-11-ene-2,4,13-triilo β αβ βα 4-acetato 2-benzoato 13-[(2R,3S)-3-[[(1,1-dimetiletoxi)carbonil]amino]-2-hidroxi-3-fenilpropanoato] SMILES: CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

Sinónimo Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-,5β,20-Epoxy-1,7β,10β-trihydroxy-9-oxotax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate],Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]-,7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv.,Docetaxel,Docetaxol,Docetere,Duopafei,N-Debenzoyl-N-tert-butoxycarbonyl-10-deacetyltaxol,RP 56976,SID 530,Taxotel,Taxotere
Fórmula molecular C43 H53 N O14
CAS 114977-28-5
Peso molecular (g/mol) 807.88
SMILES CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C
Nombre IUPAC 5,20-Epoxi-1,7,10-trihidroxi-9-oxotax-11-ene-2,4,13-triilo β αβ βα 4-acetato 2-benzoato 13-[(2R,3S)-3-[[(1,1-dimetiletoxi)carbonil]amino]-2-hidroxi-3-fenilpropanoato]
15

2-Decencioil Paclitaxel 2-Pentanooato, TRC

CAS: 213767-22-7 Fórmula molecular: C45 H55 N O14 Peso molecular (g/mol): 833.92 Sinónimo: Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-12-[(1-oxopentyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- Nombre IUPAC: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetiloxi-15-[(2R,3S)-3-benzamido-2-hidroxi-3-fenilpropanoil]oxi-1,9-dihidroxi-10,14,17,17-tetrametil-11-oxo-6-oxtetratetraciclo[11.3.03,10.04,7]heptadec-13-en-2-yl] pentanoato SMILES: CCCCC(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(=O)C)C4=C(C)[C@H](C[C@]1(O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c6ccccc6)OC(=O)C

Sinónimo Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-12-[(1-oxopentyl)oxy]-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)-
Fórmula molecular C45 H55 N O14
CAS 213767-22-7
Peso molecular (g/mol) 833.92
SMILES CCCCC(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(=O)C)C4=C(C)[C@H](C[C@]1(O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c6ccccc6)OC(=O)C
Nombre IUPAC [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetiloxi-15-[(2R,3S)-3-benzamido-2-hidroxi-3-fenilpropanoil]oxi-1,9-dihidroxi-10,14,17,17-tetrametil-11-oxo-6-oxtetratetraciclo[11.3.03,10.04,7]heptadec-13-en-2-yl] pentanoato