14-Cyclohexyl-37,63-dihydroxy-13-(hydroxymethylidene)-36,56-dimethyl-3'-[(2-pentylphenyl)methyl]spiro[18,20-diazapentadecacyclo[30.24.2.21,9.219,22.123,27.132,36.02,6.09,56.029,48.030,51.039,52.041,50.044,49.053,57.052,59]tetrahexaconta-7,19(62),22(61),23,25,27(60),29(48),30,33,40,42,44,46,49,53(57)-pentadecaene-5,1'-cyclopentane]-10-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: 14-Cyclohexyl-37,63-dihydroxy-13-(hydroxymethylidene)-36,56-dimethyl-3'-[(2-pentylphenyl)methyl]spiro[18,20-diazapentadecacyclo[30.24.2.21,9.219,22.123,27.132,36.02,6.09,56.029,48.030,51.039,52.041,50.044,49.053,57.052,59]tetrahexaconta-7,19(62),22(61),23,25,27(60),29(48),30,33,40,42,44,46,49,53(57)-pentadecaene-5,1'-cyclopentane]-10-carboxylic acid
• 英文别名: 14-cyclohexyl-37,63-dihydroxy-13-(hydroxymethylidene)-36,56-dimethyl-3'-[(2-pentylphenyl)methyl]spiro[18,20-diazapentadecacyclo[30.24.2.21,9.219,22.123,27.132,36.02,6.09,56.029,48.030,51.039,52.041,50.044,49.053,57.052,59]tetrahexaconta-7,19(62),22(61),23,25,27(60),29(48),30,33,40,42,44,46,49,53(57)-pentadecaene-5,1'-cyclopentane]-10-carboxylic acid
• 化学式: C₈₈H₁₀₄N₂O₅
• 分子量: 1269.8
• InChiKey: OLKVIBGAUSURHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.4
• 重原子数：
  95
• 可旋转键数：
  8
• 环数：
  20.0
• 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