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(Q105274897)
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English
3-[5,6,8a-trimethyl-5-[(5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2-propan-2-ylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]propanoic acid
group of stereoisomers with the chemical formula C₂₇H₃₈O₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
426.2770096959999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₇H₃₈O₄
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canonical SMILES
O=C1C=C(C(=O)C(=C1)CC2(C)C(C)CCC3(C)C(C(=C(C)C)CCC23)CCC(=O)O)C
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Identifiers
InChI
InChI=1S/C27H38O4/c1-16(2)21-7-9-23-26(5,22(21)8-10-24(29)30)12-11-18(4)27(23,6)15-19-14-20(28)13-17(3)25(19)31/h13-14,18,22-23H,7-12,15H2,1-6H3,(H,29,30)
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InChIKey
UKTQYWBDQDXWDJ-UHFFFAOYSA-N
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PubChem CID
73807430
1 reference
based on heuristic
inferred from InChIKey
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