Chem
J-GLOBAL ID：200907034345810163   Nikkaji number：J1.695.960J

4-Methoxyphenyl 2-(trichloroacetylamino)-3-O,6-O-dipivaloyl-2-deoxy-β-D-galactopyranoside

4-メトキシフェニル2-(トリクロロアセチルアミノ)-3-O,6-O-ジピバロイル-2-デオキシ-β-D-ガラクトピラノシド
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： C25H34Cl3NO9
Molecular formula furigana： C25-H34-CL3-N-O9
Molecular weight： 598.900
InChI： InChI=1S/C25H34Cl3NO9/c1-23(2,3)21(32)35-12-15-17(30)18(38-22(33)24(4,5)6)16(29-20(31)25(26,27)28)19(37-15)36-14-10-8-13(34-7)9-11-14/h8-11,15-19,30H,12H2,1-7H3,(H,29,31)/t15-,16-,17+,18-,19-/m1/s1
InChI key： SGQVGPUNSSUYLO-UJWQCDCRSA-N
SMILES： COc1ccc(O[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@H](O)[C@H](OC(=O)C(C)(C)C)[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1
Systematic name  (3)：
  • 4-メトキシフェニル2-(トリクロロアセチルアミノ)-3-O,6-O-ジピバロイル-2-デオキシ-β-D-ガラクトピラノシド
  • [(2R,3R,4R,5R,6S)-4-[(2,2-ジメチルプロパノイル)オキシ]-3-ヒドロキシ-6-(4-メトキシフェノキシ)-5-(2,2,2-トリクロロアセトアミド)オキサン-2-イル]メチル 2,2-ジメチルプロパノアート
  • [(2R,3R,4R,5R,6S)-4-[(2,2-dimethylpropanoyl)oxy]-3-hydroxy-6-(4-methoxyphenoxy)-5-(2,2,2-trichloroacetamido)oxan-2-yl]methyl 2,2-dimethylpropanoate
Other name (1)：
  • 4-Methoxyphenyl 2-(trichloroacetylamino)-3-O,6-O-dipivaloyl-2-deoxy-β-D-galactopyranoside
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