(Q105243812)

English

methyl (1R)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylate

group of stereoisomers with the chemical formula C₃₁H₅₀O₅

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Statements

group of stereoisomers

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taraxastane / ursane triterpenoid

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taraxastane / ursane triterpenoid

502.3658246999999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₅₀O₅

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canonical SMILES

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

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isomeric SMILES

COC(=O)C12CCC(C)[C@@](C)(O)C1C1=CCC3C4(C)CC(O)C(O)C(C)(C)C4CCC3(C)C1(C)CC2

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Identifiers

InChI=1S/C31H50O5/c1-18-11-14-31(25(34)36-8)16-15-28(5)19(23(31)30(18,7)35)9-10-22-27(4)17-20(32)24(33)26(2,3)21(27)12-13-29(22,28)6/h9,18,20-24,32-33,35H,10-17H2,1-8H3/t18?,20?,21?,22?,23?,24?,27?,28?,29?,30-,31?/m1/s1

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RQWXHGLRDYGNGZ-FQCUKIAMSA-N

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1 reference

matched by identifier from

RQWXHGLRDYGNGZ-FQCUKIAMSA-N

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