Chem
J-GLOBAL ID：200907000126893582   Nikkaji number：J687.751F

Methyl 2-O,3-O,4-O-trigalloyl-α-D-glucopyranoside

メチル2-O,3-O,4-O-トリガロイル-α-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： C28H26O18
Molecular formula furigana： C28-H26-O18
Molecular weight： 650.498
InChI： InChI=1S/C28H26O18/c1-42-28-24(46-27(41)11-6-16(34)21(38)17(35)7-11)23(45-26(40)10-4-14(32)20(37)15(33)5-10)22(18(8-29)43-28)44-25(39)9-2-12(30)19(36)13(31)3-9/h2-7,18,22-24,28-38H,8H2,1H3/t18-,22-,23+,24-,28+/m1/s1
InChI key： PHXHHHDAEVHOMO-ODFMKGCVSA-N
SMILES： CO[C@H]1O[C@H](CO)[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  (3)：
  • メチル2-O,3-O,4-O-トリガロイル-α-D-グルコピラノシド
  • (2R,3R,4S,5R,6S)-2-(ヒドロキシメチル)-6-メトキシ-4,5-ビス(3,4,5-トリヒドロキシベンゾイルオキシ)オキサン-3-イル 3,4,5-トリヒドロキシベンゾアート
  • (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-methoxy-4,5-bis(3,4,5-trihydroxybenzoyloxy)oxan-3-yl 3,4,5-trihydroxybenzoate
Other name (1)：
  • Methyl 2-O,3-O,4-O-trigalloyl-α-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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