Chem
J-GLOBAL ID：200907027454201170   Nikkaji number：J1.230.128F

1-O,2-O-[α-(1-O-Methyl-β-D-galactopyranose-6-O-yl)benzylidene]-α-D-glucopyranose 3,4,6-tribenzoate

1-O,2-O-[α-(1-O-メチル-β-D-ガラクトピラノース-6-O-イル)ベンジリデン]-α-D-グルコピラノース3,4,6-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： C41H40O15
Molecular formula furigana： C41-H40-O15
Molecular weight： 772.756
InChI： InChI=1S/C41H40O15/c1-48-39-32(44)31(43)30(42)28(51-39)23-50-41(27-20-12-5-13-21-27)55-35-34(54-38(47)26-18-10-4-11-19-26)33(53-37(46)25-16-8-3-9-17-25)29(52-40(35)56-41)22-49-36(45)24-14-6-2-7-15-24/h2-21,28-35,39-40,42-44H,22-23H2,1H3/t28-,29-,30+,31+,32-,33-,34+,35-,39-,40-,41?/m1/s1
InChI key： ROKABGLIDSKKRI-ATJCWKMWSA-N
SMILES： CO[C@@H]1O[C@H](COC2(O[C@H]3O[C@H](COC(=O)c4ccccc4)[C@@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@H]3O2)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 1-O,2-O-[α-(1-O-メチル-β-D-ガラクトピラノース-6-O-イル)ベンジリデン]-α-D-グルコピラノース3,4,6-トリベンゾアート
  • [(3aR,5R,6R,7S,7aR)-6,7-ビス(ベンゾイルオキシ)-2-フェニル-2-{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-メトキシオキサン-2-イル]メトキシ}-ヘキサヒドロ-[1,3]ジオキソロ[4,5-b]ピラン-5-イル]メチル ベンゾアート
  • [(3aR,5R,6R,7S,7aR)-6,7-bis(benzoyloxy)-2-phenyl-2-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy}-hexahydro-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl benzoate
Other name (1)：
  • 1-O,2-O-[α-(1-O-Methyl-β-D-galactopyranose-6-O-yl)benzylidene]-α-D-glucopyranose 3,4,6-tribenzoate
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