5-[[3-carboxy-5-[1-[3-carboxy-5-[(3-carboxy-5-chloro-4-methoxy-phenyl)methyl]-4-methoxy-phenyl]-4-[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-[1-[3-carboxy-5-[(3-carboxy-5-chloro-4-methoxy-phenyl)methyl]-4-methoxy-phenyl]-4-[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-[1-[3-carboxy-5-[(3-carboxy-5-chloro-4-methoxyphenyl)methyl]-4-methoxyphenyl]-4-[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: C₆₅H₈₀Cl₂O₁₂
• 分子量: 1124.2
• InChiKey: OWPKMQGARJOKHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.9
• 重原子数：
  79
• 可旋转键数：
  22
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  186
• 氢给体数：
  4
• 氢受体数：
  12