Chem
J-GLOBAL ID:200907025143683934   Nikkaji number:J2.174.775K

3,4-Dimethoxyphenyl 6-O-[5-O-(3,4-dimethoxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside

3,4-ジメトキシフェニル6-O-[5-O-(3,4-ジメトキシベンゾイル)-D-アピオ-β-D-フラノシル]-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: C28H36O15
Molecular formula furigana: C28-H36-O15
Molecular weight: 612.581
InChI: InChI=1S/C28H36O15/c1-35-16-7-5-14(9-18(16)37-3)25(33)40-12-28(34)13-41-27(24(28)32)39-11-20-21(29)22(30)23(31)26(43-20)42-15-6-8-17(36-2)19(10-15)38-4/h5-10,20-24,26-27,29-32,34H,11-13H2,1-4H3/t20-,21-,22+,23-,24+,26-,27-,28-/m1/s1
InChI key: GOEIYALPGAXEEK-XORKOADCSA-N
SMILES: COc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(COC(=O)c4ccc(OC)c(OC)c4)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC
Systematic name  (3):
  • 3,4-ジメトキシフェニル6-O-[5-O-(3,4-ジメトキシベンゾイル)-D-アピオ-β-D-フラノシル]-β-D-グルコピラノシド
  • [(3S,4R,5R)-5-{[(2R,3S,4S,5R,6S)-6-(3,4-ジメトキシフェノキシ)-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-3,4-ジヒドロキシオキソラン-3-イル]メチル 3,4-ジメトキシベンゾアート
  • [(3S,4R,5R)-5-{[(2R,3S,4S,5R,6S)-6-(3,4-dimethoxyphenoxy)-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4-dihydroxyoxolan-3-yl]methyl 3,4-dimethoxybenzoate
Other name (1):
  • 3,4-Dimethoxyphenyl 6-O-[5-O-(3,4-dimethoxybenzoyl)-D-apio-β-D-furanosyl]-β-D-glucopyranoside
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