Chem
J-GLOBAL ID：200907057538679617   Nikkaji number：J1.005.437K

Di-O-methylcrenatin

ジ-O-メチルクレナチン
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： C15H22O9
Molecular formula furigana： C15-H22-O9
Molecular weight： 346.332
InChI： InChI=1S/C15H22O9/c1-21-8-3-7(5-16)4-9(22-2)14(8)24-15-13(20)12(19)11(18)10(6-17)23-15/h3-4,10-13,15-20H,5-6H2,1-2H3/t10-,11-,12+,13-,15+/m1/s1
InChI key： RWIINOLFQCPJMH-VVSAWPALSA-N
SMILES： COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (4)：
  • 2,6-ジメトキシ-4-(ヒドロキシメチル)フェニルβ-D-グルコピラノシド
  • 4-(ヒドロキシメチル)-2,6-ジメトキシフェニルβ-D-グルコピラノシド
  • (2R,3S,4S,5R,6S)-2-(ヒドロキシメチル)-6-[4-(ヒドロキシメチル)-2,6-ジメトキシフェノキシ]オキサン-3,4,5-トリオール
  • (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]oxane-3,4,5-triol
Other name (4)：
  • 2,6-Dimethoxy-4-(hydroxymethyl)phenyl β-D-glucopyranoside
  • 4-(Hydroxymethyl)-2,6-dimethoxyphenyl β-D-glucopyranoside
  • ジ-O-メチルクレナチン
  • Di-O-methylcrenatin
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