Chem
J-GLOBAL ID：200907039261110915   Nikkaji number：J1.886.939J

α-[2,6-Dimethoxy-4-(3-hydroxy-1-propenyl)phenoxy]-β,4-dihydroxy-3,5-dimethoxyphenethyl β-D-glucopyranoside

α-[2,6-ジメトキシ-4-(3-ヒドロキシ-1-プロペニル)フェノキシ]-β,4-ジヒドロキシ-3,5-ジメトキシフェネチル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： C27H36O14
Molecular formula furigana： C27-H36-O14
Molecular weight： 584.571
InChI： InChI=1S/C27H36O14/c1-35-15-10-14(11-16(36-2)21(15)31)20(30)26(41-27-24(34)23(33)22(32)19(12-29)39-27)40-25-17(37-3)8-13(6-5-7-28)9-18(25)38-4/h5-6,8-11,19-20,22-24,26-34H,7,12H2,1-4H3/t19-,20?,22-,23+,24-,26?,27+/m1/s1
InChI key： NMEHRICTDYVEQJ-QJANYNRFSA-N
SMILES： COc1cc(cc(OC)c1O)C(O)C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)Oc1c(OC)cc(C=CCO)cc1OC
Systematic name  (3)：
  • α-[2,6-ジメトキシ-4-(3-ヒドロキシ-1-プロペニル)フェノキシ]-β,4-ジヒドロキシ-3,5-ジメトキシフェネチルβ-D-グルコピラノシド
  • (2S,3R,4S,5S,6R)-2-[2-ヒドロキシ-2-(4-ヒドロキシ-3,5-ジメトキシフェニル)-1-[4-(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]エトキシ]-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
  • (2S,3R,4S,5S,6R)-2-[2-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenoxy]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • α-[2,6-Dimethoxy-4-(3-hydroxy-1-propenyl)phenoxy]-β,4-dihydroxy-3,5-dimethoxyphenethyl β-D-glucopyranoside
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