16'-Cyclohexyl-50',68'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,25'-10,12-diazaoctadecacyclo[47.14.3.24,7.28,11.121,33.124,27.141,45.05,63.021,37.030,45.031,40.032,37.041,52.042,55.043,62.056,61.032,69.049,67]triheptaconta-2,4,6,8(71),11(70),22,31(40),43,46,53,55,57,59,61,72-pentadecaen-64-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-50',68'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,25'-10,12-diazaoctadecacyclo[47.14.3.24,7.28,11.121,33.124,27.141,45.05,63.021,37.030,45.031,40.032,37.041,52.042,55.043,62.056,61.032,69.049,67]triheptaconta-2,4,6,8(71),11(70),22,31(40),43,46,53,55,57,59,61,72-pentadecaen-64-yne]-20'-carboxylic acid
• 英文别名: 16'-cyclohexyl-50',68'-dihydroxy-17'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,25'-10,12-diazaoctadecacyclo[47.14.3.24,7.28,11.121,33.124,27.141,45.05,63.021,37.030,45.031,40.032,37.041,52.042,55.043,62.056,61.032,69.049,67]triheptaconta-2,4,6,8(71),11(70),22,31(40),43,46,53,55,57,59,61,72-pentadecaen-64-yne]-20'-carboxylic acid
• 化学式: C₉₃H₁₀₂N₂O₅
• 分子量: 1327.8
• InChiKey: GLVDLLHUOXTNJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  100
• 可旋转键数：
  3
• 环数：
  24.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7