Chem
J-GLOBAL ID：200907075386083738   Nikkaji number：J1.598.456B

(1S)-1β-[3,4-Dimethoxy-5-(β-D-glucopyranosyloxy)phenyl]-4β-(3,5-dimethoxy-4-hydroxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furan

(1S)-1β-[3,4-ジメトキシ-5-(β-D-グルコピラノシルオキシ)フェニル]-4β-(3,5-ジメトキシ-4-ヒドロキシフェニル)-3aβ,4,6,6aβ-テトラヒドロ-1H,3H-フロ[3,4-c]フラン
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： C28H36O13
Molecular formula furigana： C28-H36-O13
Molecular weight： 580.583
InChI： InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(37-4)19(8-13)40-28-24(33)23(32)22(31)20(9-29)41-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28+/m0/s1
InChI key： UXVZQLYLCXJSOC-QVYKXMJQSA-N
SMILES： COc1cc(cc(OC)c1O)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1cc(OC)c(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1
Systematic name  (3)：
  • (1S)-1β-[3,4-ジメトキシ-5-(β-D-グルコピラノシルオキシ)フェニル]-4β-(3,5-ジメトキシ-4-ヒドロキシフェニル)-3aβ,4,6,6aβ-テトラヒドロ-1H,3H-フロ[3,4-c]フラン
  • (2S,3R,4S,5S,6R)-2-{5-[(1S,3aR,4S,6aR)-4-(4-ヒドロキシ-3,5-ジメトキシフェニル)-ヘキサヒドロフロ[3,4-c]フラン-1-イル]-2,3-ジメトキシフェノキシ}-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-{5-[(1S,3aR,4S,6aR)-4-(4-hydroxy-3,5-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,3-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Other name (1)：
  • (1S)-1β-[3,4-Dimethoxy-5-(β-D-glucopyranosyloxy)phenyl]-4β-(3,5-dimethoxy-4-hydroxyphenyl)-3aβ,4,6,6aβ-tetrahydro-1H,3H-furo[3,4-c]furan
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