16-Cyclohexyl-8-[8-[(3,5-dimethylphenyl)methyl]spiro[4.4]nonan-3-yl]-10,36-dihydroxy-7-methyl-15-methylidene-20,22-diazadodecacyclo[33.15.3.221,24.11,35.125,29.03,8.04,39.07,11.030,48.040,49.042,47.039,54]heptapentaconta-3,21(57),24(56),25,27,29(55),41,43,45,47,49,51-dodecaen-32-yne-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-8-[8-[(3,5-dimethylphenyl)methyl]spiro[4.4]nonan-3-yl]-10,36-dihydroxy-7-methyl-15-methylidene-20,22-diazadodecacyclo[33.15.3.221,24.11,35.125,29.03,8.04,39.07,11.030,48.040,49.042,47.039,54]heptapentaconta-3,21(57),24(56),25,27,29(55),41,43,45,47,49,51-dodecaen-32-yne-12-carboxylic acid
• 英文别名: 16-cyclohexyl-8-[8-[(3,5-dimethylphenyl)methyl]spiro[4.4]nonan-3-yl]-10,36-dihydroxy-7-methyl-15-methylidene-20,22-diazadodecacyclo[33.15.3.221,24.11,35.125,29.03,8.04,39.07,11.030,48.040,49.042,47.039,54]heptapentaconta-3,21(57),24(56),25,27,29(55),41,43,45,47,49,51-dodecaen-32-yne-12-carboxylic acid
• 化学式: C₈₂H₉₈N₂O₄
• 分子量: 1175.7
• InChiKey: UWNPYWJPGPVVPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 重原子数：
  88
• 可旋转键数：
  5
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6