Chem
J-GLOBAL ID:200907027015749275   Nikkaji number:J1.297.153B

N-[6-O-(2-O-Benzyl-3-O,4-O-isopropylidene-6-O-acetyl-α-D-galactopyranosyl)-2-O-benzyl-3-O,4-O-isopropylidene-α-D-galactopyranosyl]-2,2,2-trichloroacetamide

N-[6-O-(2-O-ベンジル-3-O,4-O-イソプロピリデン-6-O-アセチル-α-D-ガラクトピラノシル)-2-O-ベンジル-3-O,4-O-イソプロピリデン-α-D-ガラクトピラノシル]-2,2,2-トリクロロアセトアミド
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: C36H44Cl3NO12
Molecular formula furigana: C36-H44-CL3-N-O12
Molecular weight: 789.090
InChI: InChI=1S/C36H44Cl3NO12/c1-20(41)43-18-24-26-28(52-35(4,5)50-26)30(45-17-22-14-10-7-11-15-22)32(48-24)46-19-23-25-27(51-34(2,3)49-25)29(44-16-21-12-8-6-9-13-21)31(47-23)40-33(42)36(37,38)39/h6-15,23-32H,16-19H2,1-5H3,(H,40,42)/t23-,24-,25+,26+,27+,28+,29-,30-,31+,32+/m1/s1
InChI key: KLPIDDSGLWNUIK-ZWUHGNBASA-N
SMILES: CC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](NC(=O)C(Cl)(Cl)Cl)[C@H](OCc3ccccc3)[C@H]3OC(C)(C)O[C@@H]23)[C@H](OCc2ccccc2)[C@H]2OC(C)(C)O[C@@H]12
Systematic name  (3):
  • N-[6-O-(2-O-ベンジル-3-O,4-O-イソプロピリデン-6-O-アセチル-α-D-ガラクトピラノシル)-2-O-ベンジル-3-O,4-O-イソプロピリデン-α-D-ガラクトピラノシル]-2,2,2-トリクロロアセトアミド
  • [(3aS,4R,6S,7R,7aS)-6-{[(3aS,4R,6S,7R,7aS)-7-(ベンジルオキシ)-2,2-ジメチル-6-(2,2,2-トリクロロアセトアミド)-ヘキサヒドロ-[1,3]ジオキソロ[4,5-c]ピラン-4-イル]メトキシ}-7-(ベンジルオキシ)-2,2-ジメチル-ヘキサヒドロ-[1,3]ジオキソロ[4,5-c]ピラン-4-イル]メチル アセタート
  • [(3aS,4R,6S,7R,7aS)-6-{[(3aS,4R,6S,7R,7aS)-7-(benzyloxy)-2,2-dimethyl-6-(2,2,2-trichloroacetamido)-hexahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methoxy}-7-(benzyloxy)-2,2-dimethyl-hexahydro-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl acetate
Other name (1):
  • N-[6-O-(2-O-Benzyl-3-O,4-O-isopropylidene-6-O-acetyl-α-D-galactopyranosyl)-2-O-benzyl-3-O,4-O-isopropylidene-α-D-galactopyranosyl]-2,2,2-trichloroacetamide
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