3'-Benzyl-54-cyclohexyl-20,64-dihydroxy-53-(hydroxymethylidene)-21-methylspiro[58,60-diazahexadecacyclo[57.2.2.12,6.121,25.137,49.138,43.08,27.09,14.015,28.018,29.025,40.030,39.033,38.033,49.029,66.046,65]heptahexaconta-1(62),2,4,6(67),8,10,12,14,16,23,26,30(39),47,59(63)-tetradecaene-45,1'-cyclopentane]-50-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-54-cyclohexyl-20,64-dihydroxy-53-(hydroxymethylidene)-21-methylspiro[58,60-diazahexadecacyclo[57.2.2.12,6.121,25.137,49.138,43.08,27.09,14.015,28.018,29.025,40.030,39.033,38.033,49.029,66.046,65]heptahexaconta-1(62),2,4,6(67),8,10,12,14,16,23,26,30(39),47,59(63)-tetradecaene-45,1'-cyclopentane]-50-carboxylic acid
• 英文别名: 3'-benzyl-54-cyclohexyl-20,64-dihydroxy-53-(hydroxymethylidene)-21-methylspiro[58,60-diazahexadecacyclo[57.2.2.12,6.121,25.137,49.138,43.08,27.09,14.015,28.018,29.025,40.030,39.033,38.033,49.029,66.046,65]heptahexaconta-1(62),2,4,6(67),8,10,12,14,16,23,26,30(39),47,59(63)-tetradecaene-45,1'-cyclopentane]-50-carboxylic acid
• 化学式: C₈₅H₉₈N₂O₅
• 分子量: 1227.7
• InChiKey: DTSLWZKFJUJXTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.3
• 重原子数：
  92
• 可旋转键数：
  4
• 环数：
  23.0
• 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