(Q104399956)

English

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

group of stereoisomers with the chemical formula C₃₀H₄₈O₃

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

456.36034539599996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

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Identifiers

InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23?,27?,28-,29?,30+/m1/s1

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MIJYXULNPSFWEK-VWMTUPGMSA-N

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26 December 2021

UniChem compound ID

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