5-[[3-carboxy-5-[(Z)-1-[3-carboxy-5-(3-carboxy-5-chloro-4-methoxy-phenyl)-4-methoxy-phenyl]-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-phenyl]methyl]-3-chloro-2-methoxy-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-[[3-carboxy-5-[(Z)-1-[3-carboxy-5-(3-carboxy-5-chloro-4-methoxy-phenyl)-4-methoxy-phenyl]-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-methoxy-phenyl]methyl]-3-chloro-2-methoxy-benzoic acid
• 英文别名: 5-[[3-carboxy-5-[(Z)-1-[3-carboxy-5-(3-carboxy-5-chloro-4-methoxyphenyl)-4-methoxyphenyl]-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-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]-2-methoxyphenyl]methyl]-3-chloro-2-methoxybenzoic acid
• 化学式: C₆₄H₇₈Cl₂O₁₂
• 分子量: 1110.2
• InChiKey: ICCZFATYGDVGGM-WBKDQUEYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.6
• 重原子数：
  78
• 可旋转键数：
  21
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  186
• 氢给体数：
  4
• 氢受体数：
  12