21'-Cyclohexyl-48',59'-dihydroxy-7',49'-dimethyl-20'-methylidene-52'-(2-methylpropyl)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,12'-25,27-diazatridecacyclo[34.16.2.28,16.226,29.11,45.130,34.03,8.04,45.07,16.09,13.037,42.044,54.049,55]hexaconta-3,14,26(58),29(57),30,32,34(56),36,38,40,42,51,53-tridecaene]-17'-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: 21'-Cyclohexyl-48',59'-dihydroxy-7',49'-dimethyl-20'-methylidene-52'-(2-methylpropyl)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,12'-25,27-diazatridecacyclo[34.16.2.28,16.226,29.11,45.130,34.03,8.04,45.07,16.09,13.037,42.044,54.049,55]hexaconta-3,14,26(58),29(57),30,32,34(56),36,38,40,42,51,53-tridecaene]-17'-carboxylic acid
• 英文别名: 21'-cyclohexyl-48',59'-dihydroxy-7',49'-dimethyl-20'-methylidene-52'-(2-methylpropyl)-5-phenylspiro[1,3,3a,4,5,6,7,7a-octahydroindene-2,12'-25,27-diazatridecacyclo[34.16.2.28,16.226,29.11,45.130,34.03,8.04,45.07,16.09,13.037,42.044,54.049,55]hexaconta-3,14,26(58),29(57),30,32,34(56),36,38,40,42,51,53-tridecaene]-17'-carboxylic acid
• 化学式: C₈₆H₁₀₆N₂O₄
• 分子量: 1231.8
• InChiKey: URYORULJNZVUGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.3
• 重原子数：
  92
• 可旋转键数：
  5
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6