Chem
J-GLOBAL ID：200907050138558409   Nikkaji number：J2.506.324D

1-O-Methyl-2-O-benzyl-3-O-(2-O,3-O,4-O,6-O-tetrabenzoyl-β-D-glucopyranosyl)-4-O,6-O-benzylidene-α-D-mannopyranose

1-O-メチル-2-O-ベンジル-3-O-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノシル)-4-O,6-O-ベンジリデン-α-D-マンノピラノース
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： C55H50O15
Molecular formula furigana： C55-H50-O15
Molecular weight： 950.990
InChI： InChI=1S/C55H50O15/c1-60-54-47(61-32-35-20-8-2-9-21-35)45(44-42(64-54)34-63-53(69-44)40-30-18-7-19-31-40)70-55-48(68-52(59)39-28-16-6-17-29-39)46(67-51(58)38-26-14-5-15-27-38)43(66-50(57)37-24-12-4-13-25-37)41(65-55)33-62-49(56)36-22-10-3-11-23-36/h2-31,41-48,53-55H,32-34H2,1H3/t41-,42-,43-,44-,45+,46+,47+,48-,53?,54+,55+/m1/s1
InChI key： XASGXOMKMGOQLS-GULAXPQYSA-N
SMILES： CO[C@H]1O[C@@H]2COC(O[C@H]2[C@H](O[C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)[C@@H]1OCc1ccccc1)c1ccccc1
Systematic name  (3)：
  • 1-O-メチル-2-O-ベンジル-3-O-(2-O,3-O,4-O,6-O-テトラベンゾイル-β-D-グルコピラノシル)-4-O,6-O-ベンジリデン-α-D-マンノピラノース
  • [(2R,3R,4S,5R,6S)-6-{[(4aR,6S,7S,8S,8aR)-7-(ベンジルオキシ)-6-メトキシ-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-8-イル]オキシ}-3,4,5-トリス(ベンゾイルオキシ)オキサン-2-イル]メチル ベンゾアート
  • [(2R,3R,4S,5R,6S)-6-{[(4aR,6S,7S,8S,8aR)-7-(benzyloxy)-6-methoxy-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}-3,4,5-tris(benzoyloxy)oxan-2-yl]methyl benzoate
Other name (1)：
  • 1-O-Methyl-2-O-benzyl-3-O-(2-O,3-O,4-O,6-O-tetrabenzoyl-β-D-glucopyranosyl)-4-O,6-O-benzylidene-α-D-mannopyranose
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