3'-Benzyl-25-cyclohexyl-45,69-dihydroxy-24-(hydroxymethylidene)spiro[29,31-diazahexadecacyclo[42.15.3.210,48.230,33.15,20.134,38.144,48.04,9.04,13.09,20.013,17.039,57.049,58.051,56.01,63.03,64]nonahexaconta-3(64),18,30(68),33(67),34,36,38(66),50,52,54,56,58,60-tridecaen-41-yne-16,1'-cyclopentane]-21-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-25-cyclohexyl-45,69-dihydroxy-24-(hydroxymethylidene)spiro[29,31-diazahexadecacyclo[42.15.3.210,48.230,33.15,20.134,38.144,48.04,9.04,13.09,20.013,17.039,57.049,58.051,56.01,63.03,64]nonahexaconta-3(64),18,30(68),33(67),34,36,38(66),50,52,54,56,58,60-tridecaen-41-yne-16,1'-cyclopentane]-21-carboxylic acid
• 英文别名: 3'-benzyl-25-cyclohexyl-45,69-dihydroxy-24-(hydroxymethylidene)spiro[29,31-diazahexadecacyclo[42.15.3.210,48.230,33.15,20.134,38.144,48.04,9.04,13.09,20.013,17.039,57.049,58.051,56.01,63.03,64]nonahexaconta-3(64),18,30(68),33(67),34,36,38(66),50,52,54,56,58,60-tridecaen-41-yne-16,1'-cyclopentane]-21-carboxylic acid
• 化学式: C₈₆H₉₈N₂O₅
• 分子量: 1239.7
• InChiKey: KJXYIYNIGQNRAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.6
• 重原子数：
  93
• 可旋转键数：
  4
• 环数：
  22.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7