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
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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:
C28 H26 O18
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
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