Chem
J-GLOBAL ID：200907056366694906   Nikkaji number：J2.062.661E

3-(3,5-Dimethoxy-4-hydroxyphenyl)propenoic acid 6-O-[2-O-[3-(3,5-dimethoxy-4-hydroxyphenyl)propenoyl]-α-D-glucopyranosyl]-2-O-[3-(3,5-dimethoxy-4-hydroxyphenyl)propenoyl]-β-D-glucopyranosyl ester

3-(3,5-ジメトキシ-4-ヒドロキシフェニル)プロペン酸6-O-[2-O-[3-(3,5-ジメトキシ-4-ヒドロキシフェニル)プロペノイル]-α-D-グルコピラノシル]-2-O-[3-(3,5-ジメトキシ-4-ヒドロキシフェニル)プロペノイル]-β-D-グルコピラノシル
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： C45H52O23
Molecular formula furigana： C45-H52-O23
Molecular weight： 960.888
InChI： InChI=1S/C45H52O23/c1-57-24-13-21(14-25(58-2)35(24)50)7-10-32(47)66-42-40(55)38(53)30(19-46)64-44(42)63-20-31-39(54)41(56)43(67-33(48)11-8-22-15-26(59-3)36(51)27(16-22)60-4)45(65-31)68-34(49)12-9-23-17-28(61-5)37(52)29(18-23)62-6/h7-18,30-31,38-46,50-56H,19-20H2,1-6H3/t30-,31-,38-,39-,40+,41+,42-,43-,44+,45+/m1/s1
InChI key： HVHNDGOZMSAQDC-ZNFBLAKRSA-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]2OC(=O)C=Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O
Systematic name  (3)：
  • 3-(3,5-ジメトキシ-4-ヒドロキシフェニル)プロペン酸6-O-[2-O-[3-(3,5-ジメトキシ-4-ヒドロキシフェニル)プロペノイル]-α-D-グルコピラノシル]-2-O-[3-(3,5-ジメトキシ-4-ヒドロキシフェニル)プロペノイル]-β-D-グルコピラノシル
  • (2S,3R,4S,5S,6R)-6-({[(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]オキシ}メチル)-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}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-({[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4,5-dihydroxy-3-{[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}oxan-2-yl 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Other name (1)：
  • 3-(3,5-Dimethoxy-4-hydroxyphenyl)propenoic acid 6-O-[2-O-[3-(3,5-dimethoxy-4-hydroxyphenyl)propenoyl]-α-D-glucopyranosyl]-2-O-[3-(3,5-dimethoxy-4-hydroxyphenyl)propenoyl]-β-D-glucopyranosyl ester
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