Chem
J-GLOBAL ID：200907002219073707   Nikkaji number：J1.893.047A

1-(Isopropylthio)-4-O,6-O-benzylidene-1-deoxy-β-D-galactopyranose 2-benzoate 3-(chloroacetate)

1-(イソプロピルチオ)-4-O,6-O-ベンジリデン-1-デオキシ-β-D-ガラクトピラノース2-ベンゾアート3-(クロロアセタート)
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： C25H27ClO7S
Molecular formula furigana： C25-H27-CL-O7-S
Molecular weight： 506.990
InChI： InChI=1S/C25H27ClO7S/c1-15(2)34-25-22(32-23(28)16-9-5-3-6-10-16)21(31-19(27)13-26)20-18(30-25)14-29-24(33-20)17-11-7-4-8-12-17/h3-12,15,18,20-22,24-25H,13-14H2,1-2H3/t18-,20+,21+,22-,24?,25+/m1/s1
InChI key： QMJHDVLNRFKGFH-HOWFKBGDSA-N
SMILES： CC(C)S[C@@H]1O[C@@H]2COC(O[C@@H]2[C@H](OC(=O)CCl)[C@H]1OC(=O)c1ccccc1)c1ccccc1
Systematic name  (3)：
  • 1-(イソプロピルチオ)-4-O,6-O-ベンジリデン-1-デオキシ-β-D-ガラクトピラノース2-ベンゾアート3-(クロロアセタート)
  • (4aR,6S,7R,8S,8aS)-8-[(2-クロロアセチル)オキシ]-2-フェニル-6-(プロパン-2-イルスルファニル)-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-7-イル ベンゾアート
  • (4aR,6S,7R,8S,8aS)-8-[(2-chloroacetyl)oxy]-2-phenyl-6-(propan-2-ylsulfanyl)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl benzoate
Other name (1)：
  • 1-(Isopropylthio)-4-O,6-O-benzylidene-1-deoxy-β-D-galactopyranose 2-benzoate 3-(chloroacetate)
Thsaurus map：
Thesaurus Map

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