Chem
J-GLOBAL ID：200907066434504555   Nikkaji number：J1.893.050A

1-O-(4-Methoxyphenyl)-4-O-(2-O-benzoyl-3-O-allyl-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-ベンゾイル-3-O-アリル-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： C57H52O16
Molecular formula furigana： C57-H52-O16
Molecular weight： 993.027
InChI： InChI=1S/C57H52O16/c1-3-33-63-47-45-44(35-65-55(72-45)40-27-17-8-18-28-40)68-57(49(47)70-53(60)38-23-13-6-14-24-38)73-46-43(34-64-51(58)36-19-9-4-10-20-36)67-56(66-42-31-29-41(62-2)30-32-42)50(71-54(61)39-25-15-7-16-26-39)48(46)69-52(59)37-21-11-5-12-22-37/h3-32,43-50,55-57H,1,33-35H2,2H3/t43-,44-,45+,46-,47+,48+,49-,50-,55?,56-,57-/m1/s1
InChI key： NCFWRSNNBDJIHL-MJBPIKLHSA-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](OCC=C)[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-ベンゾイル-3-O-アリル-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-(ベンゾイルオキシ)-2-フェニル-8-(プロパ-2-エン-1-イルオキシ)-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-(benzoyloxy)-2-phenyl-8-(prop-2-en-1-yloxy)-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-benzoyl-3-O-allyl-4-O,6-O-benzylidene-α-D-galactopyranosyl)-β-D-glucopyranose 2,3,6-tribenzoate
Thsaurus map：
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