Chem
J-GLOBAL ID:200907040861441522   Nikkaji number:J1.647.308A

1-(3,5-Dimethoxy-4-hydroxyphenyl)-2-[2,6-dimethoxy-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-[2,6-ジメトキシ-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: C28H38O14
Molecular formula furigana: C28-H38-O14
Molecular weight: 598.598
InChI: InChI=1S/C28H38O14/c1-36-16-10-15(11-17(37-2)22(16)32)26(42-28-25(35)24(34)23(33)20(12-30)41-28)21(13-31)40-27-18(38-3)8-14(6-5-7-29)9-19(27)39-4/h5-6,8-11,20-21,23-26,28-35H,7,12-13H2,1-4H3/b6-5+/t20-,21?,23-,24+,25-,26?,28+/m1/s1
InChI key: ODDGBWHMSWHKPI-OBDFSSPSSA-N
SMILES: COc1cc(cc(OC)c1O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(CO)Oc1c(OC)cc(/C=C/CO)cc1OC
Systematic name  (3):
  • 1-(3,5-ジメトキシ-4-ヒドロキシフェニル)-2-[2,6-ジメトキシ-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]-2,6-ジ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]-2,6-dimethoxyphenoxy}propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1):
  • 1-(3,5-Dimethoxy-4-hydroxyphenyl)-2-[2,6-dimethoxy-4-[(E)-3-hydroxy-1-propenyl]phenoxy]-3-hydroxypropyl β-D-glucopyranoside
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