(Q105208941)

English

(1S,2R,6aS,6bR,8aR,12aR,12bR)-10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₂H₅₀O₄

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instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

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inferred from

taraxastane / ursane triterpenoid

mass

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=C4C5C(C)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=C2C4[C@@H](C)[C@H](C)CCC4(C(=O)O)CC[C@]23C)C1(C)C

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Identifiers

InChI

InChI=1S/C32H50O4/c1-19-11-16-32(27(34)35)18-17-30(7)22(26(32)20(19)2)9-10-24-29(6)14-13-25(36-21(3)33)28(4,5)23(29)12-15-31(24,30)8/h9,19-20,23-26H,10-18H2,1-8H3,(H,34,35)/t19-,20+,23+,24-,25?,26?,29+,30-,31-,32?/m1/s1

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InChIKey

PHFUCJXOLZAQNH-PQHHAPKQSA-N

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PubChem CID

3084011

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105208941)

(1S,2R,6aS,6bR,8aR,12aR,12bR)-10-(acetyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

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