(Q105137375)

English

(2R,4aS,6aS,6bR,10S,12aR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-2-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)C1(C)CCC2(C)CCC3(C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1)C

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isomeric SMILES

CC1(C)C2CC[C@]3(C)C(CC=C4C5C[C@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@@H]1O

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Identifiers

InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)31)9-8-19-20-18-27(4,24(32)33)15-14-26(20,3)16-17-29(19,30)6/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20?,21?,22?,23-,26+,27+,28-,29+,30+/m0/s1

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JZFSMVXQUWRSIW-RZJUCFKDSA-N

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