16'-Cyclohexyl-44',66'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,25'-10,12-diazaheptadecacyclo[43.16.3.24,7.28,11.121,33.124,27.141,45.05,61.021,37.030,49.031,40.032,37.041,52.051,60.054,59.032,67.049,65]henheptaconta-2,4,6,8(69),11(68),22,31(40),47,50,53,55,57,59,70-tetradecaen-62-yne]-20'-carboxylic 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: 16'-Cyclohexyl-44',66'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,25'-10,12-diazaheptadecacyclo[43.16.3.24,7.28,11.121,33.124,27.141,45.05,61.021,37.030,49.031,40.032,37.041,52.051,60.054,59.032,67.049,65]henheptaconta-2,4,6,8(69),11(68),22,31(40),47,50,53,55,57,59,70-tetradecaen-62-yne]-20'-carboxylic acid
• 英文别名: 16'-cyclohexyl-44',66'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,25'-10,12-diazaheptadecacyclo[43.16.3.24,7.28,11.121,33.124,27.141,45.05,61.021,37.030,49.031,40.032,37.041,52.051,60.054,59.032,67.049,65]henheptaconta-2,4,6,8(69),11(68),22,31(40),47,50,53,55,57,59,70-tetradecaen-62-yne]-20'-carboxylic acid
• 化学式: C₉₁H₁₀₂N₂O₅
• 分子量: 1303.8
• InChiKey: MHRGFQQLIXFZFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  98
• 可旋转键数：
  3
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7