Chem
J-GLOBAL ID：201207050948471062   Nikkaji number：J3.014.241A

Phenyl 2-(trichloroacetylamino)-3-O-(p-methoxybenzyl)-2-deoxy-4-O,6-O-dibenzyl-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-ジベンジル-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： C36H36Cl3NO6S
Molecular formula furigana： C36-H36-CL3-N-O6-S
Molecular weight： 717.100
InChI： InChI=1S/C36H36Cl3NO6S/c1-42-28-19-17-27(18-20-28)23-45-33-31(40-35(41)36(37,38)39)34(47-29-15-9-4-10-16-29)46-30(24-43-21-25-11-5-2-6-12-25)32(33)44-22-26-13-7-3-8-14-26/h2-20,30-34H,21-24H2,1H3,(H,40,41)/t30-,31-,32-,33-,34+/m1/s1
InChI key： NBBTZUOZKWEKGP-NEPHXMAZSA-N
SMILES： COc1ccc(CO[C@@H]2[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@@H](O[C@H](COCc3ccccc3)[C@H]2OCc2ccccc2)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-ジベンジル-1-チオ-β-D-グルコピラノシド
  • N-[(2S,3R,4R,5S,6R)-5-(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-4-[(4-メトキシフェニル)メトキシ]-2-(フェニルスルファニル)オキサン-3-イル]-2,2,2-トリクロロアセトアミド
  • N-[(2S,3R,4R,5S,6R)-5-(benzyloxy)-6-[(benzyloxy)methyl]-4-[(4-methoxyphenyl)methoxy]-2-(phenylsulfanyl)oxan-3-yl]-2,2,2-trichloroacetamide
Other name (1)：
  • Phenyl 2-(trichloroacetylamino)-3-O-(p-methoxybenzyl)-2-deoxy-4-O,6-O-dibenzyl-1-thio-β-D-glucopyranoside
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