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(Q104916949)
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English
4,6-Dihydroxy-7,12,16-trimethyl-15-(6-methyl-5-oxohept-6-en-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid
group of stereoisomers with the chemical formula C₃₀H₄₆O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
cycloartane triterpenoid
1 reference
inferred from
cycloartane triterpenoid
mass
486.33452457199985
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₀H₄₆O₅
0 references
canonical SMILES
O=C(O)C1(C)C(O)CC(O)C23CC43CCC5(C)C(CCC5(C)C4CCC12)C(C)CCC(=O)C(=C)C
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Identifiers
InChI
InChI=1S/C30H46O5/c1-17(2)20(31)8-7-18(3)19-11-12-27(5)21-9-10-22-28(6,25(34)35)23(32)15-24(33)30(22)16-29(21,30)14-13-26(19,27)4/h18-19,21-24,32-33H,1,7-16H2,2-6H3,(H,34,35)
0 references
InChIKey
AQNNINVBKDUNJN-UHFFFAOYSA-N
0 references
PubChem CID
162900151
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AQNNINVBKDUNJN-UHFFFAOYSA-N
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