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(Q110201001)
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English
5-(2-formyl-5,5,8a-trimethyl-6-oxo-2,3,4,4a,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpent-2-enoic acid
group of stereoisomers with the chemical formula C₂₀H₃₀O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=CC1CCC2C(C(=O)CCC2(C)C1CCC(=CC(=O)O)C)(C)C
0 references
Identifiers
InChI
InChI=1S/C20H30O4/c1-13(11-18(23)24)5-7-15-14(12-21)6-8-16-19(2,3)17(22)9-10-20(15,16)4/h11-12,14-16H,5-10H2,1-4H3,(H,23,24)
0 references
InChIKey
IIXVPQNKGDRLOT-UHFFFAOYSA-N
0 references
PubChem CID
162977789
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IIXVPQNKGDRLOT-UHFFFAOYSA-N
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