Chem
J-GLOBAL ID：200907010094219391   Nikkaji number：J2.506.322H

1-O-Methyl-3-O,4-O-dibenzyl-6-O-(2-O,3-O,4-O,6-O-tetrabenzoyl-β-D-glucopyranosyl)-α-D-glucopyranose

1-O-メチル-3-O,4-O-ジベンジル-6-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)-α-D-グルコピラノース
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： C55H52O15
Molecular formula furigana： C55-H52-O15
Molecular weight： 953.006
InChI： InChI=1S/C55H52O15/c1-61-54-44(56)47(63-33-37-22-10-3-11-23-37)45(62-32-36-20-8-2-9-21-36)42(66-54)35-65-55-49(70-53(60)41-30-18-7-19-31-41)48(69-52(59)40-28-16-6-17-29-40)46(68-51(58)39-26-14-5-15-27-39)43(67-55)34-64-50(57)38-24-12-4-13-25-38/h2-31,42-49,54-56H,32-35H2,1H3/t42-,43-,44-,45-,46-,47-,48+,49-,54+,55-/m1/s1
InChI key： PKBNTHAFHGTTRJ-FZOHCUDHSA-N
SMILES： CO[C@H]1O[C@H](CO[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](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
Systematic name  (3)：
  • 1-O-メチル-3-O,4-O-ジベンジル-6-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)-α-D-グルコピラノース
  • [(2R,3R,4S,5R,6R)-3,4,5-トリス(ベンゾイルオキシ)-6-{[(2R,3R,4R,5R,6S)-3,4-ビス(ベンジルオキシ)-5-ヒドロキシ-6-メトキシオキサン-2-イル]メトキシ}オキサン-2-イル]メチル ベンゾアート
  • [(2R,3R,4S,5R,6R)-3,4,5-tris(benzoyloxy)-6-{[(2R,3R,4R,5R,6S)-3,4-bis(benzyloxy)-5-hydroxy-6-methoxyoxan-2-yl]methoxy}oxan-2-yl]methyl benzoate
Other name (1)：
  • 1-O-Methyl-3-O,4-O-dibenzyl-6-O-(2-O,3-O,4-O,6-O-tetrabenzoyl-β-D-glucopyranosyl)-α-D-glucopyranose
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