Chem
J-GLOBAL ID:201207097174344638   Nikkaji number:J3.014.240C

Phenyl 2-(trichloroacetylamino)-3-O-(p-methoxybenzyl)-2-deoxy-4-O,6-O-benzylidene-1-thio-β-D-glucopyranoside

フェニル2-(トリクロロアセチルアミノ)-3-O-(p-メトキシベンジル)-2-デオキシ-4-O,6-O-ベンジリデン-1-チオ-β-D-グルコピラノシド
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: C29H28Cl3NO6S
Molecular formula furigana: C29-H28-CL3-N-O6-S
Molecular weight: 624.950
InChI: InChI=1S/C29H28Cl3NO6S/c1-35-20-14-12-18(13-15-20)16-36-25-23(33-28(34)29(30,31)32)27(40-21-10-6-3-7-11-21)38-22-17-37-26(39-24(22)25)19-8-4-2-5-9-19/h2-15,22-27H,16-17H2,1H3,(H,33,34)/t22-,23-,24-,25-,26?,27+/m1/s1
InChI key: PKLKEOHZFNCVMW-SIUAEXTNSA-N
SMILES: COc1ccc(CO[C@@H]2[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@@H](O[C@@H]3COC(O[C@@H]23)c2ccccc2)Sc2ccccc2)cc1
Systematic name  (3):
  • フェニル2-(トリクロロアセチルアミノ)-3-O-(p-メトキシベンジル)-2-デオキシ-4-O,6-O-ベンジリデン-1-チオ-β-D-グルコピラノシド
  • N-[(4aR,6S,7R,8R,8aS)-8-[(4-メトキシフェニル)メトキシ]-2-フェニル-6-(フェニルスルファニル)-ヘキサヒドロ-2H-ピラノ[3,2-d][1,3]ジオキシン-7-イル]-2,2,2-トリクロロアセトアミド
  • N-[(4aR,6S,7R,8R,8aS)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-6-(phenylsulfanyl)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide
Other name (1):
  • Phenyl 2-(trichloroacetylamino)-3-O-(p-methoxybenzyl)-2-deoxy-4-O,6-O-benzylidene-1-thio-β-D-glucopyranoside
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