Chem
J-GLOBAL ID：200907086708827780   Nikkaji number：J1.904.315K

(3,5-Dimethoxy-4-hydroxystyrylcarbonyl)6-O-[2-O-(3,5-dimethoxy-4-hydroxystyrylcarbonyl)-β-D-allopyranosyl]-β-D-glucopyranoside

(3,5-ジメトキシ-4-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-アロピラノシル]-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： C34H42O19
Molecular formula furigana： C34-H42-O19
Molecular weight： 754.691
InChI： InChI=1S/C34H42O19/c1-45-17-9-15(10-18(46-2)25(17)38)5-7-23(36)52-32-30(43)27(40)21(13-35)50-34(32)49-14-22-28(41)29(42)31(44)33(51-22)53-24(37)8-6-16-11-19(47-3)26(39)20(12-16)48-4/h5-12,21-22,27-35,38-44H,13-14H2,1-4H3/t21-,22-,27-,28-,29+,30-,31-,32-,33+,34-/m1/s1
InChI key： FXDQDMASXJUNNI-QKTMPVFOSA-N
SMILES： COc1cc(C=CC(=O)O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O
Systematic name  (3)：
  • (3,5-ジメトキシ-4-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-アロピラノシル]-β-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,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]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-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)-6-({[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Other name (1)：
  • (3,5-Dimethoxy-4-hydroxystyrylcarbonyl)6-O-[2-O-(3,5-dimethoxy-4-hydroxystyrylcarbonyl)-β-D-allopyranosyl]-β-D-glucopyranoside
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