Chem
J-GLOBAL ID：200907050372951610   Nikkaji number：J1.342.994D

1-(Hydroxymethyl)-2-(3-methoxy-4-hydroxyphenyl)ethyl 6-O-galloyl-β-D-glucopyranoside

1-(ヒドロキシメチル)-2-(3-メトキシ-4-ヒドロキシフェニル)エチル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： C23H28O13
Molecular formula furigana： C23-H28-O13
Molecular weight： 512.464
InChI： InChI=1S/C23H28O13/c1-33-16-5-10(2-3-13(16)25)4-12(8-24)35-23-21(31)20(30)19(29)17(36-23)9-34-22(32)11-6-14(26)18(28)15(27)7-11/h2-3,5-7,12,17,19-21,23-31H,4,8-9H2,1H3/t12?,17-,19-,20+,21-,23-/m1/s1
InChI key： DNVSCVOVXAMHOG-ZPHFBNLKSA-N
SMILES： COc1cc(CC(CO)O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O
Systematic name  (4)：
  • 1-(ヒドロキシメチル)-2-(4-ヒドロキシ-3-メトキシフェニル)エチル6-O-ガロイル-β-D-グルコピラノシド
  • 1-(ヒドロキシメチル)-2-(3-メトキシ-4-ヒドロキシフェニル)エチル6-O-ガロイル-β-D-グルコピラノシド
  • [(2R,3S,4S,5R,6R)-3,4,5-トリヒドロキシ-6-{[1-ヒドロキシ-3-(4-ヒドロキシ-3-メトキシフェニル)プロパン-2-イル]オキシ}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,6R)-3,4,5-trihydroxy-6-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate
Other name (2)：
  • 1-(Hydroxymethyl)-2-(4-hydroxy-3-methoxyphenyl)ethyl 6-O-galloyl-β-D-glucopyranoside
  • 1-(Hydroxymethyl)-2-(3-methoxy-4-hydroxyphenyl)ethyl 6-O-galloyl-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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