28'-Cyclohexyl-48',69'-dihydroxy-27'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,19'-32,34-diazahexadecacyclo[35.22.3.34,47.233,36.14,51.114,23.02,52.06,15.07,51.010,15.010,23.016,20.040,61.043,60.054,59.047,63]nonahexaconta-1(59),2,6,21,33(68),36(67),37(62),38,40(61),41,53,55,57,65-tetradecaen-44-yne]-24'-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: 28'-Cyclohexyl-48',69'-dihydroxy-27'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,19'-32,34-diazahexadecacyclo[35.22.3.34,47.233,36.14,51.114,23.02,52.06,15.07,51.010,15.010,23.016,20.040,61.043,60.054,59.047,63]nonahexaconta-1(59),2,6,21,33(68),36(67),37(62),38,40(61),41,53,55,57,65-tetradecaen-44-yne]-24'-carboxylic acid
• 英文别名: 28'-cyclohexyl-48',69'-dihydroxy-27'-(hydroxymethylidene)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,19'-32,34-diazahexadecacyclo[35.22.3.34,47.233,36.14,51.114,23.02,52.06,15.07,51.010,15.010,23.016,20.040,61.043,60.054,59.047,63]nonahexaconta-1(59),2,6,21,33(68),36(67),37(62),38,40(61),41,53,55,57,65-tetradecaen-44-yne]-24'-carboxylic acid
• 化学式: C₈₉H₁₀₀N₂O₅
• 分子量: 1277.8
• InChiKey: BRQKTALACSZPKH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.4
• 重原子数：
  96
• 可旋转键数：
  3
• 环数：
  22.0
• 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