(Q104399665)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₈O₆

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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

504.3450892559999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₆

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canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC1

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isomeric SMILES

CC1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(O)C(O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O

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Identifiers

InChI

InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17?,19?,20-,21-,22-,23?,25+,26+,27-,28-,29-,30+/m1/s1

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InChIKey

YCOKATFNRPZIIU-PPLAUQTKSA-N

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1 reference

26 December 2021

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(Q104399665)

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

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