Chem
J-GLOBAL ID：200907067576282289   Nikkaji number：J1.893.048J

1-O-(4-Methoxyphenyl)-4-O-[2-O-benzoyl-3-O-(chloroacetyl)-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-(クロロアセチル)-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： C56H49ClO17
Molecular formula furigana： C56-H49-CL-O17
Molecular weight： 1029.440
InChI： InChI=1S/C56H49ClO17/c1-63-39-27-29-40(30-28-39)66-55-49(72-53(62)37-23-13-5-14-24-37)47(70-51(60)35-19-9-3-10-20-35)45(41(67-55)32-64-50(59)34-17-7-2-8-18-34)74-56-48(71-52(61)36-21-11-4-12-22-36)46(69-43(58)31-57)44-42(68-56)33-65-54(73-44)38-25-15-6-16-26-38/h2-30,41-42,44-49,54-56H,31-33H2,1H3/t41-,42-,44+,45-,46+,47+,48-,49-,54?,55-,56-/m1/s1
InChI key： SFYRYNXTXMQENB-XDYUYGBUSA-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)CCl)[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-(クロロアセチル)-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)-8-[(2-クロロアセチル)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-(benzoyloxy)-8-[(2-chloroacetyl)oxy]-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-benzoyl-3-O-(chloroacetyl)-4-O,6-O-benzylidene-α-D-galactopyranosyl]-β-D-glucopyranose 2,3,6-tribenzoate
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