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(Q82319208)
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English
Vernolic acid methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
310.25079494799996
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
Methyl vernolate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₃₄O₃
0 references
canonical SMILES
CCCCCC1OC1CC=CCCCCCCCC(=O)OC
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCC[C@H]1[C@H](O1)C/C=C\CCCCCCCC(=O)OC
0 references
Identifiers
InChI
InChI=1S/C19H34O3/c1-3-4-11-14-17-18(22-17)15-12-9-7-5-6-8-10-13-16-19(20)21-2/h9,12,17-18H,3-8,10-11,13-16H2,1-2H3/b12-9-/t17-,18+/m0/s1
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InChIKey
JTSVQVYMBXVLFI-IPASSIEDSA-N
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CAS Registry Number
2733-91-7
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PubChem CID
12255579
1 reference
matched by identifier from
InChIKey
InChIKey
JTSVQVYMBXVLFI-IPASSIEDSA-N
UniChem compound ID
6530066
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50482655
1 reference
matched by identifier from
InChIKey
InChIKey
JTSVQVYMBXVLFI-IPASSIEDSA-N
DSSTOX compound identifier
DTXCID50433465
0 references
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