Chem
J-GLOBAL ID：200907073074686483   Nikkaji number：J1.904.313D

(3,4-Dihydroxystyrylcarbonyl)6-O-[2-O-(3,5-dimethoxy-4-hydroxystyrylcarbonyl)-β-D-glucopyranosyl]-β-D-allopyranoside

(3,4-ジヒドロキシスチリルカルボニル)6-O-[2-O-(3,5-ジメトキシ-4-ヒドロキシスチリルカルボニル)-β-D-グルコピラノシル]-β-D-アロピラノシド
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： C32H38O18
Molecular formula furigana： C32-H38-O18
Molecular weight： 710.638
InChI： InChI=1S/C32H38O18/c1-44-18-10-15(11-19(45-2)24(18)38)5-8-22(36)49-30-28(42)25(39)20(12-33)47-32(30)46-13-21-26(40)27(41)29(43)31(48-21)50-23(37)7-4-14-3-6-16(34)17(35)9-14/h3-11,20-21,25-35,38-43H,12-13H2,1-2H3/t20-,21-,25-,26-,27-,28+,29-,30-,31+,32-/m1/s1
InChI key： FUETYOGYMBALQW-YLIHYBFISA-N
SMILES： COc1cc(C=CC(=O)O[C@H]2[C@H](OC[C@H]3O[C@@H](OC(=O)C=Cc4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc(OC)c1O
Systematic name  (3)：
  • (3,4-ジヒドロキシスチリルカルボニル)6-O-[2-O-(3,5-ジメトキシ-4-ヒドロキシスチリルカルボニル)-β-D-グルコピラノシル]-β-D-アロピラノシド
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[3-(3,4-ジヒドロキシフェニル)プロパ-2-エノイル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-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
  • (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Other name (1)：
  • (3,4-Dihydroxystyrylcarbonyl)6-O-[2-O-(3,5-dimethoxy-4-hydroxystyrylcarbonyl)-β-D-glucopyranosyl]-β-D-allopyranoside
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