4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 17-[3-(1H-benzoimidazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester | 4936-61-2

• 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: 4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 17-[3-(1H-benzoimidazol-2-yl)-1-methyl-propyl]-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-3-yl ester
• 英文别名: [17-[4-(1H-benzimidazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
• CAS: 4936-61-2
• 化学式: C₅₄H₈₂N₂O₃
• 分子量: 807.2
• InChiKey: FVFGIQLUIUFCAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.4
• 重原子数：
  59
• 可旋转键数：
  10
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  4