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(Q105176044)
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English
1,5,6-trimethyl-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,4,4a,6,7-hexahydronaphthalene-1-carboxylic acid
group of stereoisomers with the chemical formula C₂₀H₂₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
halimane diterpenoid
1 reference
inferred from
halimane diterpenoid
mass
332.4347
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₈O₄
0 references
canonical SMILES
O=C1OCC=C1CCC2(C)C3C(=CCC2C)C(C(=O)O)(C)CCC3
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Identifiers
InChI
InChI=1S/C20H28O4/c1-13-6-7-16-15(5-4-10-20(16,3)18(22)23)19(13,2)11-8-14-9-12-24-17(14)21/h7,9,13,15H,4-6,8,10-12H2,1-3H3,(H,22,23)
0 references
InChIKey
MZTWBVITFAFIPW-UHFFFAOYSA-N
0 references
PubChem CID
162998183
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MZTWBVITFAFIPW-UHFFFAOYSA-N
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