19-Cyclohexyl-11-hexyl-13,39-dihydroxy-10-methyl-18-methylidene-23,25-diazatridecacyclo[26.22.3.34,38.224,27.14,42.02,43.06,11.07,42.010,14.031,52.034,51.045,50.038,54]nonapentaconta-1(50),2,6,24(59),27(58),28(53),29,31(52),32,44,46,48,56-tridecaen-35-yne-15-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: 19-Cyclohexyl-11-hexyl-13,39-dihydroxy-10-methyl-18-methylidene-23,25-diazatridecacyclo[26.22.3.34,38.224,27.14,42.02,43.06,11.07,42.010,14.031,52.034,51.045,50.038,54]nonapentaconta-1(50),2,6,24(59),27(58),28(53),29,31(52),32,44,46,48,56-tridecaen-35-yne-15-carboxylic acid
• 英文别名: 19-cyclohexyl-11-hexyl-13,39-dihydroxy-10-methyl-18-methylidene-23,25-diazatridecacyclo[26.22.3.34,38.224,27.14,42.02,43.06,11.07,42.010,14.031,52.034,51.045,50.038,54]nonapentaconta-1(50),2,6,24(59),27(58),28(53),29,31(52),32,44,46,48,56-tridecaen-35-yne-15-carboxylic acid
• 化学式: C₇₂H₈₆N₂O₄
• 分子量: 1043.5
• InChiKey: QKWQOWNLZIQHGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.5
• 重原子数：
  78
• 可旋转键数：
  7
• 环数：
  19.0
• 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