3'-Benzyl-40-cyclohexyl-9,61-dihydroxy-41-(hydroxymethylidene)-2,10-dimethylspiro[34,36-diazapentadecacyclo[43.14.2.232,35.16,10.127,31.148,51.151,54.01,49.02,45.05,59.06,17.014,58.016,25.019,24.014,67]heptahexaconta-5(59),12,15,18,20,22,24,27(66),28,30,32(65),35(64),46-tridecaen-56-yne-63,1'-cyclopentane]-44-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-40-cyclohexyl-9,61-dihydroxy-41-(hydroxymethylidene)-2,10-dimethylspiro[34,36-diazapentadecacyclo[43.14.2.232,35.16,10.127,31.148,51.151,54.01,49.02,45.05,59.06,17.014,58.016,25.019,24.014,67]heptahexaconta-5(59),12,15,18,20,22,24,27(66),28,30,32(65),35(64),46-tridecaen-56-yne-63,1'-cyclopentane]-44-carboxylic acid
• 英文别名: 3'-benzyl-40-cyclohexyl-9,61-dihydroxy-41-(hydroxymethylidene)-2,10-dimethylspiro[34,36-diazapentadecacyclo[43.14.2.232,35.16,10.127,31.148,51.151,54.01,49.02,45.05,59.06,17.014,58.016,25.019,24.014,67]heptahexaconta-5(59),12,15,18,20,22,24,27(66),28,30,32(65),35(64),46-tridecaen-56-yne-63,1'-cyclopentane]-44-carboxylic acid
• 化学式: C₈₆H₁₀₀N₂O₅
• 分子量: 1241.7
• InChiKey: WXNXQWXMRTYDSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.1
• 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