(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-decahydro-3a,9-propano-3aH-cyclopentacyclo-octen-8-yl [(Phenylsulphonyl)oxy]acetate; Tiamulin Hydrogen Fumarate Imp. P (EP); Tiamulin Imp. P (EP); Tiamulin Hydrogen Fumarate Impurity P; Tiamulin Impurity P | 848129-54-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-decahydro-3a,9-propano-3aH-cyclopentacyclo-octen-8-yl [(Phenylsulphonyl)oxy]acetate; Tiamulin Hydrogen Fumarate Imp. P (EP); Tiamulin Imp. P (EP); Tiamulin Hydrogen Fumarate Impurity P; Tiamulin Impurity P
• 英文别名: [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-(benzenesulfonyloxy)acetate
• CAS: 848129-54-4
• 化学式: C₂₈H₃₈O₇S
• 分子量: 518.7
• InChiKey: IADBLSFNRDGQLM-OTMGWZHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  7