Chem
J-GLOBAL ID：200907025727394136   Nikkaji number：J1.539.126J

3,4,5-Trimethoxyphenyl 6-O-galloyl-β-D-glucopyranoside

3,4,5-トリメトキシフェニル6-O-ガロイル-β-D-グルコピラノシド
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： C22H26O13
Molecular formula furigana： C22-H26-O13
Molecular weight： 498.437
InChI： InChI=1S/C22H26O13/c1-30-13-6-10(7-14(31-2)20(13)32-3)34-22-19(28)18(27)17(26)15(35-22)8-33-21(29)9-4-11(23)16(25)12(24)5-9/h4-7,15,17-19,22-28H,8H2,1-3H3/t15-,17-,18+,19-,22-/m1/s1
InChI key： KIFTYWBRCWVSAV-DRASZATQSA-N
SMILES： COc1cc(O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC
Systematic name  (5)：
  • 3,4,5-トリメトキシフェニル6-O-ガロイル-β-D-グルコピラノシド
  • 1-O-(3,4,5-トリメトキシフェニル)-6-O-ガロイル-β-D-グルコピラノース
  • 1-(6-O-ガロイル-β-D-グルコピラノシルオキシ)-3,4,5-トリメトキシベンゼン
  • [(2R,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(3,4,5-トリメトキシフェノキシ)オキサン-2-イル]メチル 3,4,5-トリヒドロキシベンゾアート
  • [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Other name (3)：
  • 3,4,5-Trimethoxyphenyl 6-O-galloyl-β-D-glucopyranoside
  • 1-O-(3,4,5-Trimethoxyphenyl)-6-O-galloyl-β-D-glucopyranose
  • 1-(6-O-Galloyl-β-D-glucopyranosyloxy)-3,4,5-trimethoxybenzene
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