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(Q104908266)
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English
5-(5-acetyloxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
group of stereoisomers with the chemical formula C₂₂H₃₆O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
364.261359632
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₆O₄
0 references
canonical SMILES
O=C(OCCC(C)CCC1C(=C)CCC2C(C(=O)O)(C)CCCC12C)C
0 references
found in taxon
Cupressus sempervirens
1 reference
stated in
Constituents from fruits of Cupressus sempervirens
Identifiers
InChI
InChI=1S/C22H36O4/c1-15(11-14-26-17(3)23)7-9-18-16(2)8-10-19-21(18,4)12-6-13-22(19,5)20(24)25/h15,18-19H,2,6-14H2,1,3-5H3,(H,24,25)
0 references
InChIKey
AAPGEKMDLXBUBL-UHFFFAOYSA-N
0 references
PubChem CID
13945200
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
AAPGEKMDLXBUBL-UHFFFAOYSA-N
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