25-Cyclohexyl-45,67-dihydroxy-24-(hydroxymethylidene)-3'-(2-phenylethyl)spiro[29,31-diazapentadecacyclo[42.15.3.230,33.11,44.111,20.134,38.03,12.04,48.07,12.07,20.013,17.039,57.049,58.051,56.048,63]heptahexaconta-3,18,30(66),33(65),34,36,38(64),50,52,54,56,58,60-tridecaen-41-yne-16,1'-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: 25-Cyclohexyl-45,67-dihydroxy-24-(hydroxymethylidene)-3'-(2-phenylethyl)spiro[29,31-diazapentadecacyclo[42.15.3.230,33.11,44.111,20.134,38.03,12.04,48.07,12.07,20.013,17.039,57.049,58.051,56.048,63]heptahexaconta-3,18,30(66),33(65),34,36,38(64),50,52,54,56,58,60-tridecaen-41-yne-16,1'-cyclopentane]-21-carboxylic acid
• 英文别名: 25-cyclohexyl-45,67-dihydroxy-24-(hydroxymethylidene)-3'-(2-phenylethyl)spiro[29,31-diazapentadecacyclo[42.15.3.230,33.11,44.111,20.134,38.03,12.04,48.07,12.07,20.013,17.039,57.049,58.051,56.048,63]heptahexaconta-3,18,30(66),33(65),34,36,38(64),50,52,54,56,58,60-tridecaen-41-yne-16,1'-cyclopentane]-21-carboxylic acid
• 化学式: C₈₅H₉₈N₂O₅
• 分子量: 1227.7
• InChiKey: BPGPACGCRNZYNX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.7
• 重原子数：
  92
• 可旋转键数：
  5
• 环数：
  21.0
• 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