27-Cyclohexyl-52-[8-[(3,5-dimethylphenyl)methyl]spiro[4.4]nonan-3-yl]-33,45-dihydroxy-46-methyl-28-methylidene-21,23-diazadodecacyclo[32.15.3.219,22.11,42.114,18.03,12.04,42.06,11.032,38.038,52.041,51.046,53]hexapentaconta-2,5,7,9,11,14(56),15,17,19(55),22(54),41(51),48-dodecaene-31-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: 27-Cyclohexyl-52-[8-[(3,5-dimethylphenyl)methyl]spiro[4.4]nonan-3-yl]-33,45-dihydroxy-46-methyl-28-methylidene-21,23-diazadodecacyclo[32.15.3.219,22.11,42.114,18.03,12.04,42.06,11.032,38.038,52.041,51.046,53]hexapentaconta-2,5,7,9,11,14(56),15,17,19(55),22(54),41(51),48-dodecaene-31-carboxylic acid
• 英文别名: 27-cyclohexyl-52-[8-[(3,5-dimethylphenyl)methyl]spiro[4.4]nonan-3-yl]-33,45-dihydroxy-46-methyl-28-methylidene-21,23-diazadodecacyclo[32.15.3.219,22.11,42.114,18.03,12.04,42.06,11.032,38.038,52.041,51.046,53]hexapentaconta-2,5,7,9,11,14(56),15,17,19(55),22(54),41(51),48-dodecaene-31-carboxylic acid
• 化学式: C₈₁H₁₀₀N₂O₄
• 分子量: 1165.7
• InChiKey: VOPBCFAJOINUIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.6
• 重原子数：
  87
• 可旋转键数：
  5
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6