(Q105237256)

English

(4aS,6aS,6bR,8aR,12aR,12bR,14bS)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₂H₅₀O₄

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instance of

group of stereoisomers

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1 reference

498.37091007999993 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₅₀O₄

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canonical SMILES

O=C(OC1CCC2(C)C3CC=C4C5CC(C)(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C)C

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isomeric SMILES

CC(=O)OC1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC=C2[C@@H]4CC(C)(C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C

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Identifiers

InChI

InChI=1S/C32H50O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h9,22-25H,10-19H2,1-8H3,(H,34,35)/t22-,23-,24+,25?,29-,30+,31+,32-/m0/s1

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InChIKey

RIXNFYQZWDGQAE-SHHPMBJQSA-N

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PubChem CID

12882364

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105237256)

(4aS,6aS,6bR,8aR,12aR,12bR,14bS)-10-(acetyloxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

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