3'-Benzyl-6-cyclohexyl-26,56-dihydroxy-5-(hydroxymethylidene)-59-methylspiro[10,12-diazapentadecacyclo[44.9.4.325,41.211,14.115,19.129,41.01,59.020,38.029,44.030,39.032,37.043,58.049,53.049,58.025,60]hexahexaconta-11(66),14(65),15,17,19(64),31,33,35,37,39,43,54,61-tridecaen-22-yne-52,1'-cyclopentane]-2-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-6-cyclohexyl-26,56-dihydroxy-5-(hydroxymethylidene)-59-methylspiro[10,12-diazapentadecacyclo[44.9.4.325,41.211,14.115,19.129,41.01,59.020,38.029,44.030,39.032,37.043,58.049,53.049,58.025,60]hexahexaconta-11(66),14(65),15,17,19(64),31,33,35,37,39,43,54,61-tridecaen-22-yne-52,1'-cyclopentane]-2-carboxylic acid
• 英文别名: 3'-benzyl-6-cyclohexyl-26,56-dihydroxy-5-(hydroxymethylidene)-59-methylspiro[10,12-diazapentadecacyclo[44.9.4.325,41.211,14.115,19.129,41.01,59.020,38.029,44.030,39.032,37.043,58.049,53.049,58.025,60]hexahexaconta-11(66),14(65),15,17,19(64),31,33,35,37,39,43,54,61-tridecaen-22-yne-52,1'-cyclopentane]-2-carboxylic acid
• 化学式: C₈₄H₉₆N₂O₅
• 分子量: 1213.7
• InChiKey: OVUITSQFQGUNRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16
• 重原子数：
  91
• 可旋转键数：
  4
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7