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(Q104167232)
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English
6-[6-(2-Carboxyethyl)-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-hydroxy-2-methyl-3-methylidene-4-oxoheptanoic acid
group of stereoisomers with the chemical formula C₃₁H₄₄O₆
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
512.3137891279998
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₁H₄₄O₆
0 references
canonical SMILES
O=C(O)CCC1(C2=CCC3(C)C(CCC3(C2=CCC1C(=C)C)C)C(O)(C)CC(=O)C(=C)C(C(=O)O)C)C
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Identifiers
InChI
InChI=1S/C31H44O6/c1-18(2)21-9-10-23-22(28(21,5)14-13-26(33)34)11-15-30(7)25(12-16-29(23,30)6)31(8,37)17-24(32)19(3)20(4)27(35)36/h10-11,20-21,25,37H,1,3,9,12-17H2,2,4-8H3,(H,33,34)(H,35,36)
0 references
InChIKey
GJTWWQXLOACZKG-UHFFFAOYSA-N
0 references
PubChem CID
163093927
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GJTWWQXLOACZKG-UHFFFAOYSA-N
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