Chem
J-GLOBAL ID:200907050083610970   Nikkaji number:J1.895.581D

Ethyl 3-O-(3-O,4-O-dibenzoyl-2-O-benzyl-α-L-fucopyranosyl)-6-O-benzyl-2-(trichloroacetylamino)-2-deoxy-1-thio-β-D-glucopyranoside

エチル3-O-(3-O,4-O-ジベンゾイル-2-O-ベンジル-α-L-フコピラノシル)-6-O-ベンジル-2-(トリクロロアセチルアミノ)-2-デオキシ-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: C44H46Cl3NO11S
Molecular formula furigana: C44-H46-CL3-N-O11-S
Molecular weight: 903.260
InChI: InChI=1S/C44H46Cl3NO11S/c1-3-60-42-33(48-43(52)44(45,46)47)36(34(49)32(56-42)26-53-24-28-16-8-4-9-17-28)59-41-38(54-25-29-18-10-5-11-19-29)37(58-40(51)31-22-14-7-15-23-31)35(27(2)55-41)57-39(50)30-20-12-6-13-21-30/h4-23,27,32-38,41-42,49H,3,24-26H2,1-2H3,(H,48,52)/t27-,32+,33+,34+,35+,36+,37+,38-,41-,42-/m0/s1
InChI key: QSVYEBQNHOFWLT-NMQVEAAOSA-N
SMILES: CCS[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2OCc2ccccc2)[C@H]1NC(=O)C(Cl)(Cl)Cl
Systematic name  (3):
  • エチル3-O-(3-O,4-O-ジベンゾイル-2-O-ベンジル-α-L-フコピラノシル)-6-O-ベンジル-2-(トリクロロアセチルアミノ)-2-デオキシ-1-チオ-β-D-グルコピラノシド
  • (2S,3R,4R,5S,6S)-4-(ベンゾイルオキシ)-5-(ベンジルオキシ)-6-{[(2R,3S,4R,5R,6S)-2-[(ベンジルオキシ)メチル]-6-(エチルスルファニル)-3-ヒドロキシ-5-(2,2,2-トリクロロアセトアミド)オキサン-4-イル]オキシ}-2-メチルオキサン-3-イル ベンゾアート
  • (2S,3R,4R,5S,6S)-4-(benzoyloxy)-5-(benzyloxy)-6-{[(2R,3S,4R,5R,6S)-2-[(benzyloxy)methyl]-6-(ethylsulfanyl)-3-hydroxy-5-(2,2,2-trichloroacetamido)oxan-4-yl]oxy}-2-methyloxan-3-yl benzoate
Other name (1):
  • Ethyl 3-O-(3-O,4-O-dibenzoyl-2-O-benzyl-α-L-fucopyranosyl)-6-O-benzyl-2-(trichloroacetylamino)-2-deoxy-1-thio-β-D-glucopyranoside
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