Chem
J-GLOBAL ID：200907013864062541   Nikkaji number：J1.296.908B

Ethyl 2-O-(2-O-acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-3-O,4-O,6-O-tribenzyl-1-thio-α-D-mannopyranoside

エチル2-O-(2-O-アセチル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-3-O,4-O,6-O-トリベンジル-1-チオ-α-D-マンノピラノシド
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： C58H64O11S
Molecular formula furigana： C58-H64-O11-S
Molecular weight： 969.200
InChI： InChI=1S/C58H64O11S/c1-3-70-58-56(54(65-39-48-32-20-9-21-33-48)52(63-37-46-28-16-7-17-29-46)50(68-58)41-61-35-44-24-12-5-13-25-44)69-57-55(66-42(2)59)53(64-38-47-30-18-8-19-31-47)51(62-36-45-26-14-6-15-27-45)49(67-57)40-60-34-43-22-10-4-11-23-43/h4-33,49-58H,3,34-41H2,1-2H3/t49-,50-,51-,52-,53+,54+,55+,56+,57-,58-/m1/s1
InChI key： ROUFTWGMBRQIKZ-JWVOPGMISA-N
SMILES： CCS[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OC(=O)C
Systematic name  (3)：
  • エチル2-O-(2-O-アセチル-3-O,4-O,6-O-トリベンジル-α-D-マンノピラノシル)-3-O,4-O,6-O-トリベンジル-1-チオ-α-D-マンノピラノシド
  • (2R,3S,4S,5R,6R)-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-2-{[(2R,3S,4S,5R,6R)-4,5-ビス(ベンジルオキシ)-6-[(ベンジルオキシ)メチル]-2-(エチルスルファニル)オキサン-3-イル]オキシ}オキサン-3-イル アセタート
  • (2R,3S,4S,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-{[(2R,3S,4S,5R,6R)-4,5-bis(benzyloxy)-6-[(benzyloxy)methyl]-2-(ethylsulfanyl)oxan-3-yl]oxy}oxan-3-yl acetate
Other name (1)：
  • Ethyl 2-O-(2-O-acetyl-3-O,4-O,6-O-tribenzyl-α-D-mannopyranosyl)-3-O,4-O,6-O-tribenzyl-1-thio-α-D-mannopyranoside
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