Chem
J-GLOBAL ID：200907043685212596   Nikkaji number：J954.872F

[4-[(3-O,4-O-Diacetyl-6-deoxy-α-L-mannopyranosyl)oxy]benzyl]thiocarbamic acid O-ethyl ester

[4-[(3-O,4-O-ジアセチル-6-デオキシ-α-L-マンノピラノシル)オキシ]ベンジル]チオカルバミド酸O-エチル
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： C20H27NO8S
Molecular formula furigana： C20-H27-N-O8-S
Molecular weight： 441.500
InChI： InChI=1S/C20H27NO8S/c1-5-25-20(30)21-10-14-6-8-15(9-7-14)29-19-16(24)18(28-13(4)23)17(11(2)26-19)27-12(3)22/h6-9,11,16-19,24H,5,10H2,1-4H3,(H,21,30)/t11-,16+,17-,18-,19-/m0/s1
InChI key： RUOWBBKWHHZCSD-CLFIOZCUSA-N
SMILES： CCOC(=S)NCc1ccc(O[C@@H]2O[C@@H](C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H]2O)cc1
Systematic name  (3)：
  • [4-[(3-O,4-O-ジアセチル-6-デオキシ-α-L-マンノピラノシル)オキシ]ベンジル]チオカルバミド酸O-エチル
  • (2S,3S,4S,5R,6S)-4-(アセチルオキシ)-6-(4-{[(エトキシメタンチオイル)アミノ]メチル}フェノキシ)-5-ヒドロキシ-2-メチルオキサン-3-イル アセタート
  • (2S,3S,4S,5R,6S)-4-(acetyloxy)-6-(4-{[(ethoxymethanethioyl)amino]methyl}phenoxy)-5-hydroxy-2-methyloxan-3-yl acetate
Other name (1)：
  • [4-[(3-O,4-O-Diacetyl-6-deoxy-α-L-mannopyranosyl)oxy]benzyl]thiocarbamic acid O-ethyl ester
Thsaurus map：
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