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(Q105146898)
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English
1,4a-dimethyl-6-methylidene-5-(3-methyl-5-octadecanoyloxypentyl)-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
group of stereoisomers with the chemical formula C₃₈H₆₈O₄
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Statements
instance of
group of stereoisomers
0 references
subclass of
labdanes
1 reference
inferred from
labdanes
mass
588.5117606559999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₃₈H₆₈O₄
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canonical SMILES
O=C(OCCC(C)CCC1C(=C)CCC2C(C(=O)O)(C)CCCC12C)CCCCCCCCCCCCCCCCC
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Identifiers
InChI
InChI=1S/C38H68O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-35(39)42-30-27-31(2)23-25-33-32(3)24-26-34-37(33,4)28-21-29-38(34,5)36(40)41/h31,33-34H,3,6-30H2,1-2,4-5H3,(H,40,41)
0 references
InChIKey
KWEXFIYALSITBX-UHFFFAOYSA-N
0 references
PubChem CID
85261961
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KWEXFIYALSITBX-UHFFFAOYSA-N
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