Chem
J-GLOBAL ID：200907084402697023   Nikkaji number：J1.647.306E

1-(3,5-Dimethoxy-4-hydroxyphenyl)-2-[2-methoxy-4-[(E)-3-hydroxy-1-propenyl]phenoxy]-3-hydroxypropyl β-D-glucopyranoside

1-(3,5-ジメトキシ-4-ヒドロキシフェニル)-2-[2-メトキシ-4-[(E)-3-ヒドロキシ-1-プロペニル]フェノキシ]-3-ヒドロキシプロピル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： C27H36O13
Molecular formula furigana： C27-H36-O13
Molecular weight： 568.572
InChI： InChI=1S/C27H36O13/c1-35-17-9-14(5-4-8-28)6-7-16(17)38-21(13-30)26(15-10-18(36-2)22(31)19(11-15)37-3)40-27-25(34)24(33)23(32)20(12-29)39-27/h4-7,9-11,20-21,23-34H,8,12-13H2,1-3H3/b5-4+/t20-,21?,23-,24+,25-,26?,27+/m1/s1
InChI key： LCOGLVQOODSNOD-RTTZUQLGSA-N
SMILES： COc1cc(/C=C/CO)ccc1OC(CO)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(OC)c(O)c(OC)c1
Systematic name  (3)：
  • 1-(3,5-ジメトキシ-4-ヒドロキシフェニル)-2-[2-メトキシ-4-[(E)-3-ヒドロキシ-1-プロペニル]フェノキシ]-3-ヒドロキシプロピルβ-D-グルコピラノシド
  • (2R,3R,4S,5S,6R)-2-[3-ヒドロキシ-1-(4-ヒドロキシ-3,5-ジメトキシフェニル)-2-{4-[(1E)-3-ヒドロキシプロパ-1-エン-1-イル]-2-メトキシフェノキシ}プロポキシ]-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2R,3R,4S,5S,6R)-2-[3-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • 1-(3,5-Dimethoxy-4-hydroxyphenyl)-2-[2-methoxy-4-[(E)-3-hydroxy-1-propenyl]phenoxy]-3-hydroxypropyl β-D-glucopyranoside
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