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(Q104990408)
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English
6-Methyl-5-methylidene-2-(4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)heptanoic acid
group of stereoisomers with the chemical formula C₃₁H₄₆O₃
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Statements
instance of
group of stereoisomers
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subclass of
24-methyllanostane triterpenoid
1 reference
inferred from
24-methyllanostane triterpenoid
mass
466.344695332
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₁H₄₆O₃
0 references
canonical SMILES
O=C(O)C(CCC(=C)C(C)C)C1CCC2(C3=CCC4C(C(=O)CCC4(C3=CCC12C)C)(C)C)C
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Identifiers
InChI
InChI=1S/C31H46O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)
0 references
InChIKey
DVXFDXIVWQWLIU-UHFFFAOYSA-N
0 references
PubChem CID
74257597
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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