16-Cyclohexyl-10,43-dihydroxy-7,44-dimethyl-15-methylidene-47-(2-methylpropyl)-8-[8-(2-phenylethyl)spiro[4.4]nonan-3-yl]-20,22-diazaundecacyclo[29.16.2.221,24.11,40.125,29.03,8.04,40.07,11.032,37.039,49.044,50]tripentaconta-3,21(53),24(52),25,27,29(51),31,33,35,37,46,48-dodecaene-12-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-10,43-dihydroxy-7,44-dimethyl-15-methylidene-47-(2-methylpropyl)-8-[8-(2-phenylethyl)spiro[4.4]nonan-3-yl]-20,22-diazaundecacyclo[29.16.2.221,24.11,40.125,29.03,8.04,40.07,11.032,37.039,49.044,50]tripentaconta-3,21(53),24(52),25,27,29(51),31,33,35,37,46,48-dodecaene-12-carboxylic acid
• 英文别名: 16-cyclohexyl-10,43-dihydroxy-7,44-dimethyl-15-methylidene-47-(2-methylpropyl)-8-[8-(2-phenylethyl)spiro[4.4]nonan-3-yl]-20,22-diazaundecacyclo[29.16.2.221,24.11,40.125,29.03,8.04,40.07,11.032,37.039,49.044,50]tripentaconta-3,21(53),24(52),25,27,29(51),31,33,35,37,46,48-dodecaene-12-carboxylic acid
• 化学式: C₈₂H₁₀₄N₂O₄
• 分子量: 1181.7
• InChiKey: IBYNHKUFIVIXCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18
• 重原子数：
  88
• 可旋转键数：
  8
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6