Chem
J-GLOBAL ID：200907000456540759   Nikkaji number：J9.572I

Vernolic acid

ベルノル酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H32O3
Molecular formula furigana： C18-H32-O3
Molecular weight： 296.451
InChI： InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/t16-,17+/m1/s1
InChI key： CCPPLLJZDQAOHD-GJGKEFFFSA-N
SMILES： CCCCC[C@H]1O[C@H]1C/C=C\CCCCCCCC(=O)O
Systematic name  (7)：
  • (12β,13β)-12,13-エポキシオレイン酸
  • [12S,13R,Z,(-)]-12,13-エポキシオレイン酸
  • [Z,(-)]-11-[(2S,3R)-3-ペンチルオキシラニル]-9-ウンデセン酸
  • (9Z,12S,13R)-12,13-エポキシ-9-オクタデセン酸
  • (Z)-11-(3β-ペンチルオキシラン-2β-イル)-9-ウンデセン酸
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Other name (11)：
  • (-)-ベルノル酸
  • (-)-Vernolic acid
  • 12,13-Epoxyoleic acid
  • [12S,13R,Z,(-)]-12,13-Epoxyoleic acid
  • [Z,(-)]-11-[(2S,3R)-3-Pentyloxiranyl]-9-undecenoic acid
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CAS registry number： 503-07-1
KEGG COMPOUND： C08368
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