Chem
J-GLOBAL ID:200907050606800948   Nikkaji number:J951.257H

(2E,4S,5S)-4-Methyl-5-hydroxy-6-(benzyloxy)-2-hexenoic acid ethyl ester

(2E,4S,5S)-4-メチル-5-ヒドロキシ-6-(ベンジルオキシ)-2-ヘキセン酸エチル
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: C16H22O4
Molecular formula furigana: C16-H22-O4
Molecular weight: 278.348
InChI: InChI=1S/C16H22O4/c1-3-20-16(18)10-9-13(2)15(17)12-19-11-14-7-5-4-6-8-14/h4-10,13,15,17H,3,11-12H2,1-2H3/b10-9+/t13-,15+/m0/s1
InChI key: PAIGYQJAGFYRTO-BPKFXHHPSA-N
SMILES: CCOC(=O)/C=C/[C@H](C)[C@H](O)COCc1ccccc1
Systematic name  (3):
  • (2E,4S,5S)-4-メチル-5-ヒドロキシ-6-(ベンジルオキシ)-2-ヘキセン酸エチル
  • エチル (2E,4S,5S)-6-(ベンジルオキシ)-5-ヒドロキシ-4-メチルヘキサ-2-エノアート
  • ethyl (2E,4S,5S)-6-(benzyloxy)-5-hydroxy-4-methylhex-2-enoate
Other name (1):
  • (2E,4S,5S)-4-Methyl-5-hydroxy-6-(benzyloxy)-2-hexenoic acid ethyl ester
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