Chem
J-GLOBAL ID：200907000896237462   Nikkaji number：J341.567H

1,2,3,4-Tetragalloyl-alpha-D-glucose

1,2,3,4-テトラガロイル-α-D-グルコース
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： C34H28O22
Molecular formula furigana： C34-H28-O22
Molecular weight： 788.576
InChI： InChI=1S/C34H28O22/c35-9-22-27(53-30(48)10-1-14(36)23(44)15(37)2-10)28(54-31(49)11-3-16(38)24(45)17(39)4-11)29(55-32(50)12-5-18(40)25(46)19(41)6-12)34(52-22)56-33(51)13-7-20(42)26(47)21(43)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34-/m1/s1
InChI key： XFLTYUCKJRFDOU-UEKZKNBCSA-N
SMILES： OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
Systematic name  (4)：
  • ガロイル2-O,3-O,4-O-トリガロイル-α-D-グルコピラノシド
  • α-D-グルコピラノース1,2,3,4-テトラ(3,4,5-トリヒドロキシベンゾアート)
  • (2R,3R,4S,5R,6R)-6-(ヒドロキシメチル)-3,4,5-トリス(3,4,5-トリヒドロキシベンゾイルオキシ)オキサン-2-イル 3,4,5-トリヒドロキシベンゾアート
  • (2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(3,4,5-trihydroxybenzoyloxy)oxan-2-yl 3,4,5-trihydroxybenzoate
Other name (4)：
  • Galloyl 2-O,3-O,4-O-trigalloyl-α-D-glucopyranoside
  • α-D-Glucopyranose 1,2,3,4-tetra(3,4,5-trihydroxybenzoate)
  • 1,2,3,4-Tetragalloyl-alpha-D-glucose
  • 1,2,3,4-テトラガロイル-α-D-グルコース
CAS registry number： 132023-50-8
KEGG COMPOUND： C10243
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