5-[1-(3-Carboxy-5-chloro-4-hydroxy-phenyl)-4-[(3s,5s,10s,13r,17r)-10,13-dimethyl-17-(1-methylheptyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxy-benzoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 5-[1-(3-Carboxy-5-chloro-4-hydroxy-phenyl)-4-[(3s,5s,10s,13r,17r)-10,13-dimethyl-17-(1-methylheptyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxy-benzoic acid
• 英文别名: 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-4-[(3S,5S,10S,13R,17R)-10,13-dimethyl-17-octan-2-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chloro-2-hydroxybenzoic acid
• 化学式: C₄₅H₆₀Cl₂O₆
• 分子量: 767.9
• InChiKey: RAWIDIQFHWWRLF-STDKSVRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.8
• 重原子数：
  53
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6