21-Cyclohexyl-15,41-dihydroxy-62-methyl-20-methylidene-25,27-diazatetradecacyclo[28.22.3.34,40.226,29.14,44.19,13.02,45.06,13.07,44.033,54.036,53.047,52.016,62.040,56]dohexaconta-1(52),2,6,26(61),29(60),30(55),31,33(54),34,46,48,50,58-tridecaen-37-yne-17-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: 21-Cyclohexyl-15,41-dihydroxy-62-methyl-20-methylidene-25,27-diazatetradecacyclo[28.22.3.34,40.226,29.14,44.19,13.02,45.06,13.07,44.033,54.036,53.047,52.016,62.040,56]dohexaconta-1(52),2,6,26(61),29(60),30(55),31,33(54),34,46,48,50,58-tridecaen-37-yne-17-carboxylic acid
• 英文别名: 21-cyclohexyl-15,41-dihydroxy-62-methyl-20-methylidene-25,27-diazatetradecacyclo[28.22.3.34,40.226,29.14,44.19,13.02,45.06,13.07,44.033,54.036,53.047,52.016,62.040,56]dohexaconta-1(52),2,6,26(61),29(60),30(55),31,33(54),34,46,48,50,58-tridecaen-37-yne-17-carboxylic acid
• 化学式: C₆₉H₇₈N₂O₄
• 分子量: 999.4
• InChiKey: LIRGOYXCLGKWQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.4
• 重原子数：
  75
• 可旋转键数：
  2
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  102
• 氢给体数：
  5
• 氢受体数：
  6