Chem
J-GLOBAL ID：200907000114218847   Nikkaji number：J2.749.615F

1,2-Bis-O-sinapoyl-beta-D-glucoside

1,2-ビス-O-シナポイル-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： C28H32O14
Molecular formula furigana： C28-H32-O14
Molecular weight： 592.550
InChI： InChI=1S/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3/t20-,25-,26+,27-,28+/m1/s1
InChI key： KQDOTXAUJBODDM-CDQXLJITSA-N
SMILES： COc1cc(C=CC(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
Systematic name  (3)：
  • β-D-グルコピラノース1,2-ビス(4-ヒドロキシ-3,5-ジメトキシベンゼンプロペノアート)
  • (2S,3R,4S,5S,6R)-4,5-ジヒドロキシ-3-{[3-(4-ヒドロキシ-3,5-ジメトキシフェニル)プロパ-2-エノイル]オキシ}-6-(ヒドロキシメチル)オキサン-2-イル 3-(4-ヒドロキシ-3,5-ジメトキシフェニル)プロパ-2-エノアート
  • (2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Other name (3)：
  • β-D-Glucopyranose 1,2-bis(4-hydroxy-3,5-dimethoxybenzenepropenoate)
  • 1,2-Bis-O-sinapoyl-beta-D-glucoside
  • 1,2-ビス-O-シナポイル-β-D-グルコピラノシド
KEGG COMPOUND： C04275
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