5-[1-(3-carboxy-5-chloro-4-hydroxy-phenyl)-5-[(3S,5S,8R,9R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-8,10,13-trimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]pent-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)-5-[(3S,5S,8R,9R,10S,13R,14R,17R)-17-[(1R)-1,5-dimethylhexyl]-8,10,13-trimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]pent-1-enyl]-3-chloro-2-hydroxy-benzoic acid
• 英文别名: 5-[1-(3-carboxy-5-chloro-4-hydroxyphenyl)-5-[(3S,5S,8R,9R,10S,13R,14R,17R)-8,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]pent-1-enyl]-3-chloro-2-hydroxybenzoic acid
• 化学式: C₄₇H₆₄Cl₂O₆
• 分子量: 795.9
• InChiKey: WUPDITPCPJUSJJ-QOEXINKFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.5
• 重原子数：
  55
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  6