Chem
J-GLOBAL ID:201007030212138360   Nikkaji number:J2.789.509C

12(R),13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid

12(R),13(S)-エポキシ-9(S)-ヒドロキシ-10(E)-オクタデセン酸
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: C18H32O4
Molecular formula furigana: C18-H32-O4
Molecular weight: 312.450
InChI: InChI=1S/C18H32O4/c1-2-3-7-11-16-17(22-16)14-13-15(19)10-8-5-4-6-9-12-18(20)21/h13-17,19H,2-12H2,1H3,(H,20,21)/b14-13+/t15-,16-,17+/m0/s1
InChI key: WCCLYKMJXGYGEN-SYMVGPSASA-N
SMILES: CCCCC[C@@H]1O[C@@H]1/C=C/[C@@H](O)CCCCCCCC(=O)O
Systematic name  (3):
  • (9S,10E,12R,13S)-12,13-エポキシ-9-ヒドロキシ-10-オクタデセン酸
  • (9S,10E)-9-ヒドロキシ-11-[(2R,3S)-3-ペンチルオキシラン-2-イル]ウンデカ-10-エン酸
  • (9S,10E)-9-hydroxy-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-10-enoic acid
Other name (3):
  • (9S,10E,12R,13S)-12,13-Epoxy-9-hydroxy-10-octadecenoic acid
  • 12(R),13(S)-Epoxy-9(S)-hydroxy-10(E)-octadecenoic acid
  • 12(R),13(S)-エポキシ-9(S)-ヒドロキシ-10(E)-オクタデセン酸
KEGG COMPOUND: C14832
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