Chem
J-GLOBAL ID：200907091173703274   Nikkaji number：J702.806G

1-Imino-2,2,2-trichloroethyl 2-(acetylamino)-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-4-O,6-O-benzylidene-2-deoxy-α-D-galacto-hexopyranoside

1-イミノ-2,2,2-トリクロロエチル2-(アセチルアミノ)-3-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-4-O,6-O-ベンジリデン-2-デオキシ-α-D-galacto-ヘキソピラノシド
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： C31H37Cl3N2O15
Molecular formula furigana： C31-H37-CL3-N2-O15
Molecular weight： 783.990
InChI： InChI=1S/C31H37Cl3N2O15/c1-13(37)36-21-24(22-20(47-28(21)51-30(35)31(32,33)34)12-43-27(49-22)18-9-7-6-8-10-18)50-29-26(46-17(5)41)25(45-16(4)40)23(44-15(3)39)19(48-29)11-42-14(2)38/h6-10,19-29,35H,11-12H2,1-5H3,(H,36,37)/t19-,20-,21-,22+,23+,24-,25+,26-,27?,28-,29+/m1/s1
InChI key： WKEXUHZSVLBOMO-BRRJEHFFSA-N
SMILES： CC(=O)N[C@H]1[C@@H](OC(=N)C(Cl)(Cl)Cl)O[C@@H]2COC(O[C@@H]2[C@@H]1O[C@@H]1O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)c1ccccc1
Systematic name  (3)：
  • 1-イミノ-2,2,2-トリクロロエチル2-(アセチルアミノ)-3-O-(2-O,3-O,4-O,6-O-テトラアセチル-β-D-ガラクトピラノシル)-4-O,6-O-ベンジリデン-2-デオキシ-α-D-galacto-ヘキソピラノシド
  • [(2R,3S,4S,5R,6R)-6-{[(4aR,6R,7R,8R,8aR)-7-アセトアミド-2-フェニル-6-[(2,2,2-トリクロロエタンイミドイル)オキシ]-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(アセチルオキシ)オキサン-2-イル]メチル アセタート
  • [(2R,3S,4S,5R,6R)-6-{[(4aR,6R,7R,8R,8aR)-7-acetamido-2-phenyl-6-[(2,2,2-trichloroethanimidoyl)oxy]-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}-3,4,5-tris(acetyloxy)oxan-2-yl]methyl acetate
Other name (1)：
  • 1-Imino-2,2,2-trichloroethyl 2-(acetylamino)-3-O-(2-O,3-O,4-O,6-O-tetraacetyl-β-D-galactopyranosyl)-4-O,6-O-benzylidene-2-deoxy-α-D-galacto-hexopyranoside
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