Chem
J-GLOBAL ID：200907039409625570   Nikkaji number：J2.042.304H

(S)-4-(3-Hydroxyphenyl)-4-(β-D-glucopyranosyloxy)butyric acid methyl ester

(S)-4-(3-ヒドロキシフェニル)-4-(β-D-グルコピラノシルオキシ)酪酸メチル
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： C17H24O9
Molecular formula furigana： C17-H24-O9
Molecular weight： 372.370
InChI： InChI=1S/C17H24O9/c1-24-13(20)6-5-11(9-3-2-4-10(19)7-9)25-17-16(23)15(22)14(21)12(8-18)26-17/h2-4,7,11-12,14-19,21-23H,5-6,8H2,1H3/t11-,12+,14+,15-,16+,17+/m0/s1
InChI key： MIOZSVQQUVWFPM-HJIDVSFMSA-N
SMILES： COC(=O)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(O)c1
Systematic name  (3)：
  • (S)-4-(3-ヒドロキシフェニル)-4-(β-D-グルコピラノシルオキシ)酪酸メチル
  • メチル (4S)-4-(3-ヒドロキシフェニル)-4-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}ブタノアート
  • methyl (4S)-4-(3-hydroxyphenyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butanoate
Other name (1)：
  • (S)-4-(3-Hydroxyphenyl)-4-(β-D-glucopyranosyloxy)butyric acid methyl ester
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