Chem
J-GLOBAL ID：200907026672801884   Nikkaji number：J1.893.046C

1-O-(4-Methoxyphenyl)-4-O-(2-O,3-O-dibenzoyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-tribenzoate

1-O-(4-メトキシフェニル)-4-O-(2-O,3-O-ジベンゾイル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-β-D-グルコピラノース2,3,6-トリベンゾアート
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： C61H52O17
Molecular formula furigana： C61-H52-O17
Molecular weight： 1057.070
InChI： InChI=1S/C61H52O17/c1-67-44-32-34-45(35-33-44)70-60-52(75-57(65)41-26-14-5-15-27-41)51(74-56(64)40-24-12-4-13-25-40)49(46(71-60)36-68-54(62)38-20-8-2-9-21-38)78-61-53(76-58(66)42-28-16-6-17-29-42)50(73-55(63)39-22-10-3-11-23-39)48-47(72-61)37-69-59(77-48)43-30-18-7-19-31-43/h2-35,46-53,59-61H,36-37H2,1H3/t46-,47-,48+,49-,50+,51+,52-,53-,59?,60-,61-/m1/s1
InChI key： MAHSRDWSARKYQY-YGRORUFHSA-N
SMILES： COc1ccc(O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O[C@H]3O[C@@H]4COC(O[C@@H]4[C@H](OC(=O)c4ccccc4)[C@H]3OC(=O)c3ccccc3)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)cc1
Systematic name  (3)：
  • 1-O-(4-メトキシフェニル)-4-O-(2-O,3-O-ジベンゾイル-4-O,6-O-ベンジリデン-α-D-ガラクトピラノシル)-β-D-グルコピラノース2,3,6-トリベンゾアート
  • [(2R,3R,4S,5R,6S)-3-{[(4aR,6R,7R,8S,8aS)-7,8-ビス(ベンゾイルオキシ)-2-フェニル-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-6-イル]オキシ}-4,5-ビス(ベンゾイルオキシ)-6-(4-メトキシフェノキシ)オキサン-2-イル]メチル ベンゾアート
  • [(2R,3R,4S,5R,6S)-3-{[(4aR,6R,7R,8S,8aS)-7,8-bis(benzoyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-4,5-bis(benzoyloxy)-6-(4-methoxyphenoxy)oxan-2-yl]methyl benzoate
Other name (1)：
  • 1-O-(4-Methoxyphenyl)-4-O-(2-O,3-O-dibenzoyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-tribenzoate
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