Chem
J-GLOBAL ID：200907088655851873   Nikkaji number：J1.361.779A

3,4-Dimethoxyphenethyl 4-O-[3-(3,4-dimethoxyphenyl)propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranoside

3,4-ジメトキシフェネチル4-O-[3-(3,4-ジメトキシフェニル)プロペノイル]-3-O-β-D-キシロピラノシル-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： C32H42O15
Molecular formula furigana： C32-H42-O15
Molecular weight： 666.673
InChI： InChI=1S/C32H42O15/c1-39-20-8-5-17(13-22(20)41-3)7-10-25(35)46-29-24(15-33)45-32(43-12-11-18-6-9-21(40-2)23(14-18)42-4)28(38)30(29)47-31-27(37)26(36)19(34)16-44-31/h5-10,13-14,19,24,26-34,36-38H,11-12,15-16H2,1-4H3/t19-,24-,26+,27-,28-,29-,30-,31+,32-/m1/s1
InChI key： WPZCTDOAZOEUMD-YRRNTOGFSA-N
SMILES： COc1ccc(CCO[C@@H]2O[C@H](CO)[C@@H](OC(=O)C=Cc3ccc(OC)c(OC)c3)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc1OC
Systematic name  (3)：
  • 3,4-ジメトキシフェネチル4-O-[3-(3,4-ジメトキシフェニル)プロペノイル]-3-O-β-D-キシロピラノシル-β-D-グルコピラノシド
  • (2R,3R,4R,5R,6R)-6-[2-(3,4-ジメトキシフェニル)エトキシ]-5-ヒドロキシ-2-(ヒドロキシメチル)-4-{[(2S,3R,4S,5R)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}オキサン-3-イル 3-(3,4-ジメトキシフェニル)プロパ-2-エノアート
  • (2R,3R,4R,5R,6R)-6-[2-(3,4-dimethoxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-3-yl 3-(3,4-dimethoxyphenyl)prop-2-enoate
Other name (1)：
  • 3,4-Dimethoxyphenethyl 4-O-[3-(3,4-dimethoxyphenyl)propenoyl]-3-O-β-D-xylopyranosyl-β-D-glucopyranoside
Thsaurus map：
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