3'-Benzyl-36-cyclohexyl-5,42-dihydroxy-6,59-dimethyl-37-methylidenespiro[30,32-diazatetradecacyclo[39.15.3.228,31.12,6.123,27.145,48.148,51.02,13.010,55.012,21.015,20.044,56.044,59.010,65]pentahexaconta-1(56),8,11,14,16,18,20,23(64),24,26,28(63),31(62)-dodecaen-53-yne-47,1'-cyclopentane]-40-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: 3'-Benzyl-36-cyclohexyl-5,42-dihydroxy-6,59-dimethyl-37-methylidenespiro[30,32-diazatetradecacyclo[39.15.3.228,31.12,6.123,27.145,48.148,51.02,13.010,55.012,21.015,20.044,56.044,59.010,65]pentahexaconta-1(56),8,11,14,16,18,20,23(64),24,26,28(63),31(62)-dodecaen-53-yne-47,1'-cyclopentane]-40-carboxylic acid
• 英文别名: 3'-benzyl-36-cyclohexyl-5,42-dihydroxy-6,59-dimethyl-37-methylidenespiro[30,32-diazatetradecacyclo[39.15.3.228,31.12,6.123,27.145,48.148,51.02,13.010,55.012,21.015,20.044,56.044,59.010,65]pentahexaconta-1(56),8,11,14,16,18,20,23(64),24,26,28(63),31(62)-dodecaen-53-yne-47,1'-cyclopentane]-40-carboxylic acid
• 化学式: C₈₄H₁₀₀N₂O₄
• 分子量: 1201.7
• InChiKey: KQGZJGSXXRGSEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.8
• 重原子数：
  90
• 可旋转键数：
  4
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6