3'-Benzyl-25-cyclohexyl-19,45-dihydroxy-24-(hydroxymethylidene)-66-methylspiro[29,31-diazahexadecacyclo[42.15.3.29,20.230,33.11,16.113,20.134,38.02,44.02,48.06,10.010,17.015,48.039,57.049,58.051,56.017,66]nonahexaconta-15,30(65),33(64),34,36,38(63),50,52,54,56,58,60,67-tridecaen-4,41-diyne-8,1'-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-19,45-dihydroxy-24-(hydroxymethylidene)-66-methylspiro[29,31-diazahexadecacyclo[42.15.3.29,20.230,33.11,16.113,20.134,38.02,44.02,48.06,10.010,17.015,48.039,57.049,58.051,56.017,66]nonahexaconta-15,30(65),33(64),34,36,38(63),50,52,54,56,58,60,67-tridecaen-4,41-diyne-8,1'-cyclopentane]-21-carboxylic acid
• 英文别名: 3'-benzyl-25-cyclohexyl-19,45-dihydroxy-24-(hydroxymethylidene)-66-methylspiro[29,31-diazahexadecacyclo[42.15.3.29,20.230,33.11,16.113,20.134,38.02,44.02,48.06,10.010,17.015,48.039,57.049,58.051,56.017,66]nonahexaconta-15,30(65),33(64),34,36,38(63),50,52,54,56,58,60,67-tridecaen-4,41-diyne-8,1'-cyclopentane]-21-carboxylic acid
• 化学式: C₈₇H₉₆N₂O₅
• 分子量: 1249.7
• InChiKey: NVOATJWGPLIFGH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.9
• 重原子数：
  94
• 可旋转键数：
  4
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  122
• 氢给体数：
  6
• 氢受体数：
  7