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CH3CH2(R)OO(R)OHO(S)OO(S)(R)CH3CH3CH3HO(S)OO(R)OH(R)O(S)OO(S)(R)CH3

CAS RN 124-87-8

IUPAC Nombre: (1R,3R,5S,8S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1⁹,¹².0³,⁵.0⁵,¹³]tetradecane-6,11-dione; (1R,5S,8S,13R,14R)-1-hydroxy-13-methyl-14-(prop-1-en-2-yl)-4,7,10-trioxapentacyclo[6.4.1.1⁹,¹².0³,⁵.0⁵,¹³]tetradecane-6,11-dione
Sinónimos: picrotoxin
Peso molecular (g/mol): 602.59
Fórmula molecular: C30H34O13
InChi Key: VJKUPQSHOVKBCO-ZTYBEOBUSA-N
SMILES: CC(=C)[C@@H]1C2OC(=O)C1[C@]1(O)CC3O[C@]33C(=O)O[C@H]2[C@]13C.CC(C)(O)[C@@H]1C2OC(=O)C1[C@]1(O)C[C@H]3O[C@]33C(=O)O[C@H]2[C@]13C
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1

Picrotoxina, 98 %, Thermo Scientific Chemicals

CAS: 124-87-8 Fórmula molecular: C30H34O13 Peso molecular (g/mol): 602.58 Clave InChI: VJKUPQSHOVKBCO-DMRKGALJSA-N Sinónimo: picrotoxin PubChem CID: 131846146 SMILES: CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O

Sinónimo picrotoxin
Clave InChI VJKUPQSHOVKBCO-DMRKGALJSA-N
PubChem CID 131846146
Fórmula molecular C30H34O13
CAS 124-87-8
Peso molecular (g/mol) 602.58
SMILES CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
2
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3

Picrotoxina (mezcla 1:1 de picrotoxinina y picrotina), TRC

CAS: 124-87-8 Fórmula molecular: C15H16O6 C15H18O7 Peso molecular (g/mol): 602.59 Sinónimo: (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione compd. with (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione Nombre IUPAC: (1aR,2aR,2a1R,3S,6R,6aS,8aS,9R)-2a-hidroxi-2a1-metil-9-(prop-1-en-2-il)hexahidro-8H-1,5,7-trioxa-3,6-metanociclopenta[ij]ciclopropa[a]azuleno-4,8(2a1H)-diona--(1aR,2aR,2aR,2a1R,3S,6R,6aS,8aS,9S)-2a-hidroxi-9-(2-hidroxipropan-2-il)-2a1-metilhexahidro-8H-1,5,7-trioxa-3,6-metanociclopenta[ij]cicloprope[a]azuleno-4,8(2a1H)-dione (1/1) SMILES: [H][C@]1(C(C)(O)C)[C@@]2([H])[C@]3(O)C[C@@H]4[C@@]5(O4)[C@]3(C)[C@]([C@]1([H])OC2=O)([H])OC5=O.[H][C@]6(C([CH2])=C)[C@@]7([H])[C@]8(O)C[C@@H]9[C@@]%10(O9)[C@]8(C)[C@]([C@]6([H])OC7=O)([H])OC%10=O

Sinónimo (1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione compd. with (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione
Fórmula molecular C15H16O6 C15H18O7
CAS 124-87-8
Peso molecular (g/mol) 602.59
SMILES [H][C@]1(C(C)(O)C)[C@@]2([H])[C@]3(O)C[C@@H]4[C@@]5(O4)[C@]3(C)[C@]([C@]1([H])OC2=O)([H])OC5=O.[H][C@]6(C([CH2])=C)[C@@]7([H])[C@]8(O)C[C@@H]9[C@@]%10(O9)[C@]8(C)[C@]([C@]6([H])OC7=O)([H])OC%10=O
Nombre IUPAC (1aR,2aR,2a1R,3S,6R,6aS,8aS,9R)-2a-hidroxi-2a1-metil-9-(prop-1-en-2-il)hexahidro-8H-1,5,7-trioxa-3,6-metanociclopenta[ij]ciclopropa[a]azuleno-4,8(2a1H)-diona--(1aR,2aR,2aR,2a1R,3S,6R,6aS,8aS,9S)-2a-hidroxi-9-(2-hidroxipropan-2-il)-2a1-metilhexahidro-8H-1,5,7-trioxa-3,6-metanociclopenta[ij]cicloprope[a]azuleno-4,8(2a1H)-dione (1/1)