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Oxepanos

Compuestos orgánicos heterocíclicos que consisten en un anillo de siete miembros en el que un grupo de metileno se sustituye por oxígeno.
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1

Monómero de ε-caprolactona, 99 %, Thermo Scientific Chemicals

CAS: 502-44-3 Número MDL: MFCD00003267 Clave InChI: PAPBSGBWRJIAAV-UHFFFAOYSA-N Sinónimo: 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane PubChem CID: 10401 ChEBI: CHEBI:17915 Nombre IUPAC: Oxepan-2-uno SMILES: C1CCC(=O)OCC1

EDGE
Sinónimo 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane
Clave InChI PAPBSGBWRJIAAV-UHFFFAOYSA-N
PubChem CID 10401
CAS 502-44-3
ChEBI CHEBI:17915
Número MDL MFCD00003267
SMILES C1CCC(=O)OCC1
Nombre IUPAC Oxepan-2-uno
2

epsilon-Caprolactona, 99 %, Thermo Scientific Chemicals

CAS: 502-44-3 Fórmula molecular: C6H10O2 Peso molecular (g/mol): 114.144 Número MDL: MFCD00003267 Clave InChI: PAPBSGBWRJIAAV-UHFFFAOYSA-N Sinónimo: 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane PubChem CID: 10401 ChEBI: CHEBI:17915 Nombre IUPAC: Oxepan-2-uno SMILES: C1CCC(=O)OCC1

EDGE
Sinónimo 6-hexanolactone,epsilon-caprolactone,2-oxepanone,caprolactone,hexan-6-olide,6-hexanolide,hexano-6-lactone,1,6-hexanolide,e-caprolactone,1-oxa-2-oxocycloheptane
Clave InChI PAPBSGBWRJIAAV-UHFFFAOYSA-N
PubChem CID 10401
Fórmula molecular C6H10O2
CAS 502-44-3
ChEBI CHEBI:17915
Peso molecular (g/mol) 114.144
Número MDL MFCD00003267
SMILES C1CCC(=O)OCC1
Nombre IUPAC Oxepan-2-uno
3

Thermo Scientific Chemicals 1,6-Anhidro-β-D-glucopiranosa, 99+ %

CAS: 498-07-7 Fórmula molecular: C6H10O5 Peso molecular (g/mol): 162.14 Número MDL: MFCD00063248 Clave InChI: TWNIBLMWSKIRAT-UHFFFAOYNA-N Sinónimo: 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose PubChem CID: 2724705 ChEBI: CHEBI:30997 SMILES: OC1C2COC(O2)C(O)C1O

Sinónimo 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose
Clave InChI TWNIBLMWSKIRAT-UHFFFAOYNA-N
PubChem CID 2724705
Fórmula molecular C6H10O5
CAS 498-07-7
ChEBI CHEBI:30997
Peso molecular (g/mol) 162.14
Número MDL MFCD00063248
SMILES OC1C2COC(O2)C(O)C1O
4

1,6-Anhidro-beta-D-glucopiranosa, 99 %, Thermo Scientific Chemicals

CAS: 498-07-7 Fórmula molecular: C6H10O5 Peso molecular (g/mol): 162.14 Número MDL: MFCD00063248 Clave InChI: TWNIBLMWSKIRAT-UHFFFAOYNA-N Sinónimo: 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose PubChem CID: 2724705 ChEBI: CHEBI:30997 Nombre IUPAC: (1R,2S,3S,4R,5R)-6,8-dioxabiciclo[3.2.1]octano-2,3,4-triol SMILES: OC1C2COC(O2)C(O)C1O

Sinónimo 1,6-anhydro-beta-d-glucopyranose,levoglucosan,leucoglucosan,1,6-anhydro-beta-d-glucose,1,6-anhydro-beta-glucopyranose,glucosan,1,6-anhydroglucose,unii-5132n17fsd,anhydroglucose,1,6-anhydro-d-glucose
Clave InChI TWNIBLMWSKIRAT-UHFFFAOYNA-N
PubChem CID 2724705
Fórmula molecular C6H10O5
CAS 498-07-7
ChEBI CHEBI:30997
Peso molecular (g/mol) 162.14
Número MDL MFCD00063248
SMILES OC1C2COC(O2)C(O)C1O
Nombre IUPAC (1R,2S,3S,4R,5R)-6,8-dioxabiciclo[3.2.1]octano-2,3,4-triol
5

Óxido de ciclohexeno, 98 %, Thermo Scientific Chemicals

CAS: 286-20-4 Fórmula molecular: C6H10O Peso molecular (g/mol): 98.14 Número MDL: MFCD00005162 Clave InChI: ZWAJLVLEBYIOTI-UHFFFAOYSA-N Sinónimo: cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide PubChem CID: 9246 Nombre IUPAC: 7-oxabiciclo[4.1.0]heptano SMILES: C1CCC2C(C1)O2

Sinónimo cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide
Clave InChI ZWAJLVLEBYIOTI-UHFFFAOYSA-N
PubChem CID 9246
Fórmula molecular C6H10O
CAS 286-20-4
Peso molecular (g/mol) 98.14
Número MDL MFCD00005162
SMILES C1CCC2C(C1)O2
Nombre IUPAC 7-oxabiciclo[4.1.0]heptano
6

Óxido de ciclohexeno, +98 %, Thermo Scientific Chemicals

CAS: 286-20-4 Fórmula molecular: C6H10O Peso molecular (g/mol): 98.145 Número MDL: MFCD00005162 Clave InChI: ZWAJLVLEBYIOTI-UHFFFAOYSA-N Sinónimo: cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide PubChem CID: 9246 Nombre IUPAC: 7-oxabiciclo[4.1.0]heptano SMILES: C1CCC2C(C1)O2

Sinónimo cyclohexene oxide,7-oxabicyclo 4.1.0 heptane,1,2-epoxycyclohexane,cyclohexene epoxide,cyclohexylene oxide,tetramethyleneoxirane,cyclohexene 1-oxide,epoxycyclohexane,cyclohexeneoxide,1,2-cyclohexene oxide
Clave InChI ZWAJLVLEBYIOTI-UHFFFAOYSA-N
PubChem CID 9246
Fórmula molecular C6H10O
CAS 286-20-4
Peso molecular (g/mol) 98.145
Número MDL MFCD00005162
SMILES C1CCC2C(C1)O2
Nombre IUPAC 7-oxabiciclo[4.1.0]heptano
7

Diepoxida de diciclopentadieno, 98 %, Thermo Scientific Chemicals

CAS: 81-21-0 Fórmula molecular: C10H12O2 Peso molecular (g/mol): 164.204 Número MDL: MFCD00077209 Clave InChI: BQQUFAMSJAKLNB-UHFFFAOYSA-N Sinónimo: dicyclopentadiene dioxide,dicyclopentadiene diepoxide,unox epoxide 207,epoxide 207,bicyclopentadiene dioxide,unox 207x,unox 207,dicyclopentadiene dioxide van,1,2:5,6-diepoxyhexahydro-4,7-methanoindan,4,7-methanoindan, 1,2:5,6-diepoxyhexahydro PubChem CID: 6673 SMILES: C1C2C3CC4C(C3C1C5C2O5)O4

Sinónimo dicyclopentadiene dioxide,dicyclopentadiene diepoxide,unox epoxide 207,epoxide 207,bicyclopentadiene dioxide,unox 207x,unox 207,dicyclopentadiene dioxide van,1,2:5,6-diepoxyhexahydro-4,7-methanoindan,4,7-methanoindan, 1,2:5,6-diepoxyhexahydro
Clave InChI BQQUFAMSJAKLNB-UHFFFAOYSA-N
PubChem CID 6673
Fórmula molecular C10H12O2
CAS 81-21-0
Peso molecular (g/mol) 164.204
Número MDL MFCD00077209
SMILES C1C2C3CC4C(C3C1C5C2O5)O4
8

Óxido de 4-metil-1,2-ciclohexeno, cis + trans, 97 %, Thermo Scientific Chemicals

CAS: 36099-51-1 Fórmula molecular: C7H12O Peso molecular (g/mol): 112.172 Número MDL: MFCD09742280 Clave InChI: ULPDSNLBZMHGPI-UHFFFAOYSA-N Sinónimo: 3-methyl-7-oxabicyclo 4.1.0 heptane,7-oxabicyclo 4.1.0 heptane, 3-methyl,4-methyl-1,2-cyclohexene oxide,4-methyl-1,2-cyclohexene oxide, cis + trans,4-methyl-7-oxabicyclo 4.1.0 heptane,7-oxabicyclo 4.1.0 heptane,3-methyl,3-methyl-7-oxabicyclo 4.1.0 heptane #,4-methyl-1,2-cyclohexene oxide, cis+trans PubChem CID: 535184 Nombre IUPAC: 4-metil-7-oxabiciclo[4.1.0]heptano SMILES: CC1CCC2C(C1)O2

Sinónimo 3-methyl-7-oxabicyclo 4.1.0 heptane,7-oxabicyclo 4.1.0 heptane, 3-methyl,4-methyl-1,2-cyclohexene oxide,4-methyl-1,2-cyclohexene oxide, cis + trans,4-methyl-7-oxabicyclo 4.1.0 heptane,7-oxabicyclo 4.1.0 heptane,3-methyl,3-methyl-7-oxabicyclo 4.1.0 heptane #,4-methyl-1,2-cyclohexene oxide, cis+trans
Clave InChI ULPDSNLBZMHGPI-UHFFFAOYSA-N
PubChem CID 535184
Fórmula molecular C7H12O
CAS 36099-51-1
Peso molecular (g/mol) 112.172
Número MDL MFCD09742280
SMILES CC1CCC2C(C1)O2
Nombre IUPAC 4-metil-7-oxabiciclo[4.1.0]heptano
9

Perhidrociclobuta[c]furan-1,3-diona, 97 %, Thermo Scientific™

CAS: 4462-96-8 Fórmula molecular: C6H6O3 Peso molecular (g/mol): 126.111 Clave InChI: NMNZZIMBGSGRPN-UHFFFAOYSA-N Sinónimo: 3-oxabicyclo 3.2.0 heptane-2,4-dione,perhydrocyclobuta c furan-1,3-dione,1,2-cyclobutanedicarboxylic anhydride,cyclobutane-1,2-dicarboxylic anhydride,1,2-cyclobutanedicarboxylic anhydride, cis-,,acmc-1ahmk,3-oxabicyclo 3.2.0 heptane-2, cis PubChem CID: 138261 Nombre IUPAC: 3-oxabiciclo[3.2.0]heptan-2,4-diona SMILES: C1CC2C1C(=O)OC2=O

Sinónimo 3-oxabicyclo 3.2.0 heptane-2,4-dione,perhydrocyclobuta c furan-1,3-dione,1,2-cyclobutanedicarboxylic anhydride,cyclobutane-1,2-dicarboxylic anhydride,1,2-cyclobutanedicarboxylic anhydride, cis-,,acmc-1ahmk,3-oxabicyclo 3.2.0 heptane-2, cis
Clave InChI NMNZZIMBGSGRPN-UHFFFAOYSA-N
PubChem CID 138261
Fórmula molecular C6H6O3
CAS 4462-96-8
Peso molecular (g/mol) 126.111
SMILES C1CC2C1C(=O)OC2=O
Nombre IUPAC 3-oxabiciclo[3.2.0]heptan-2,4-diona
10

Cyrene, TRC

CAS: 53716-82-8 Fórmula molecular: C6H8O3 Peso molecular (g/mol): 128.13 Sinónimo: (1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,Cyrene,Dihydrolevoglucosenone Nombre IUPAC: (1S,5R)-6,8-dioxabiciclo[3.2.1]octan-4-uno SMILES: O=C1CC[C@H]2CO[C@@H]1O2

Sinónimo (1S,5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,(5R)-6,8-Dioxabicyclo[3.2.1]octan-4-one,Cyrene,Dihydrolevoglucosenone
Fórmula molecular C6H8O3
CAS 53716-82-8
Peso molecular (g/mol) 128.13
SMILES O=C1CC[C@H]2CO[C@@H]1O2
Nombre IUPAC (1S,5R)-6,8-dioxabiciclo[3.2.1]octan-4-uno
11

Deoxi-artemisinina, TRC

CAS: 72826-63-2 Fórmula molecular: C15 H22 O4 Peso molecular (g/mol): 266.33 Sinónimo: 10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, (3R,3aS,6R,6aS,9S,10aS,10bR)-,10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, [3R-(3α,3aβ,6β,6aβ,9β,10aα,10bβ)]-,(3R,3aS,6R,6aS,9S,10aS,10bR)-Octahydro-3,6,9-trimethyl-10aH-9,10b-epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one,2-Deoxyartemisinin,2-Desoxyartemisinin,Deoxyarteannuin,Deoxyartemisinin,Deoxyqinghaosu,Desoxyartemisinin,Hydroarteannuin,Qing Hau Sau III,Qinghaosu III,(3R,3aS,3a1R,6R,6aS,9S,10aS)-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-2-one SMILES: C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4

Sinónimo 10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, (3R,3aS,6R,6aS,9S,10aS,10bR)-,10aH-9,10b-Epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one, octahydro-3,6,9-trimethyl-, [3R-(3α,3aβ,6β,6aβ,9β,10aα,10bβ)]-,(3R,3aS,6R,6aS,9S,10aS,10bR)-Octahydro-3,6,9-trimethyl-10aH-9,10b-epoxypyrano[4,3,2-jk][2]benzoxepin-2(3H)-one,2-Deoxyartemisinin,2-Desoxyartemisinin,Deoxyarteannuin,Deoxyartemisinin,Deoxyqinghaosu,Desoxyartemisinin,Hydroarteannuin,Qing Hau Sau III,Qinghaosu III,(3R,3aS,3a1R,6R,6aS,9S,10aS)-3,6,9-trimethyldecahydro-2H-3a1,9-epoxyoxepino[4,3,2-ij]isochromen-2-one
Fórmula molecular C15 H22 O4
CAS 72826-63-2
Peso molecular (g/mol) 266.33
SMILES C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23O4
12

Hidrocortisona (9Beta, 11Beta)-Epóxido, TRC

CAS: 10072-97-6 Fórmula molecular: C21 H28 O5 Peso molecular (g/mol): 360.44 Sinónimo: Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)- (9CI),9β-Pregn-4-ene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy- (6CI,7CI,8CI),9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregn-4-ene-3,20-dione deriv.,9β,11β-Epoxy-17,21-dihydroxypregn-4-ene-3,20-dione Nombre IUPAC: (1S,2S,10S,11S,14R,15S,17S)-14-hidroxi-14-(2-hidroxiacetil)-2,15-dimetil-18-oxapentatacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one SMILES: C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)CC[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO

Sinónimo Pregn-4-ene-3,20-dione, 9,11-epoxy-17,21-dihydroxy-, (9β,11β)- (9CI),9β-Pregn-4-ene-3,20-dione, 9,11β-epoxy-17,21-dihydroxy- (6CI,7CI,8CI),9,11-Epoxy-9H-cyclopenta[a]phenanthrene, pregn-4-ene-3,20-dione deriv.,9β,11β-Epoxy-17,21-dihydroxypregn-4-ene-3,20-dione
Fórmula molecular C21 H28 O5
CAS 10072-97-6
Peso molecular (g/mol) 360.44
SMILES C[C@]12C[C@@H]3O[C@]34[C@@H](CCC5=CC(=O)CC[C@]45C)[C@@H]1CC[C@]2(O)C(=O)CO
Nombre IUPAC (1S,2S,10S,11S,14R,15S,17S)-14-hidroxi-14-(2-hidroxiacetil)-2,15-dimetil-18-oxapentatacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-5-one
14

(6Alfa,9Beta,11Beta,16Alfa)-9,11-Epoxi-6-fluoro-21-hidroxi-16,17-[(1-metiletilideno)bis(oxy)]pregna-1,4-dieno-3,20-dione, TRC

CAS: 68352-03-4 Fórmula molecular: C24 H29 F O6 Peso molecular (g/mol): 432.48 Sinónimo: Pregna-1,4-diene-3,20-dione, 9,11-epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-,(6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione,9,11β-Epoxy-6α-fluoro-21-hydroxy-16α,17-(1-methylethylidenedioxy)-9β-pregna-1,4-diene-3,20-dione SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]46O[C@H]6C[C@]3(C)[C@@]2(O1)C(=O)CO

Sinónimo Pregna-1,4-diene-3,20-dione, 9,11-epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,9β,11β,16α)-,(6α,9β,11β,16α)-9,11-Epoxy-6-fluoro-21-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione,9,11β-Epoxy-6α-fluoro-21-hydroxy-16α,17-(1-methylethylidenedioxy)-9β-pregna-1,4-diene-3,20-dione
Fórmula molecular C24 H29 F O6
CAS 68352-03-4
Peso molecular (g/mol) 432.48
SMILES CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]46O[C@H]6C[C@]3(C)[C@@]2(O1)C(=O)CO
15

Epóxido de Conduritol B, TRC

CAS: 6090-95-5 Fórmula molecular: C6 H10 O5 Peso molecular (g/mol): 162.14 Sinónimo: myo-Inositol, 1,2-anhydro-,DL-myo-Inositol, 1,2-anhydro-,Inositol, 1,2-anhydro-, myo- (8CI),1,2-Anhydro-myo-inositol,Conduritol B epoxide,1,2-Anhydro-DL-myo-inositol Nombre IUPAC: (1R,2R,3S,4S,5R,6S)-7-oxabiciclo[4.1.0]heptano-2,3,4,5-tetrol SMILES: O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2[C@@H]1O

Sinónimo myo-Inositol, 1,2-anhydro-,DL-myo-Inositol, 1,2-anhydro-,Inositol, 1,2-anhydro-, myo- (8CI),1,2-Anhydro-myo-inositol,Conduritol B epoxide,1,2-Anhydro-DL-myo-inositol
Fórmula molecular C6 H10 O5
CAS 6090-95-5
Peso molecular (g/mol) 162.14
SMILES O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2[C@@H]1O
Nombre IUPAC (1R,2R,3S,4S,5R,6S)-7-oxabiciclo[4.1.0]heptano-2,3,4,5-tetrol