Chem
J-GLOBAL ID:200907000456540759
Nikkaji number:J9.572I Vernolic acid ベルノル酸
Download MOL file 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: C18 H32 O3 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
(9Z)-11-[(2S,3R)-3-ペンチルオキシラン-2-イル]ウンデカ-9-エン酸 (9Z)-11-[(2S,3R)-3-pentyloxiran-2-yl]undec-9-enoic acid Show all
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
Vernolic acid ベルノル酸 ベルノール酸 (12β,13β)-12,13-Epoxyoleic acid (9Z,12S,13R)-12,13-Epoxy-9-octadecenoic acid (Z)-11-(3β-Pentyloxirane-2β-yl)-9-undecenoic acid Show all
CAS registry number:
503-07-1
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