21-Acetoxy-3α-hydroxy-5α-pregnan-11,20-dion | 2526-11-6

• 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-Acetoxy-3α-hydroxy-5α-pregnan-11,20-dion
• 英文别名: [2-[(3R,5S,10S,13S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
• CAS: 2526-11-6；23930-37-2；53604-17-4
• 化学式: C₂₃H₃₄O₅
• 分子量: 390.52
• InChiKey: QRJOQYLXZPQQMX-XPNCENFWSA-N

物化性质

• 熔点：
  175-177°
• 比旋光度：
  D26 +97° (c = 1.02 in chloroform)
• 沸点：
  523.6±50.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• NEUROACTIVE STEROIDS AND METHODS OF PREPARATION
  申请人：Drawbridge Pharmaceuticals Pty Ltd

  公开号：US20210355157A1

  公开（公告）日：2021-11-18

  Neuroactive steroid anaesthetic agents, methods for their preparation and compositions comprising the same are disclosed. Also provided are scaled up and/or GMP methods for preparing neuroactive steroids, such as alfaxalone, alfadolone and alfadolone acetate.