[(17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate

• 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: [(17R)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] propanoate
• 化学式: C₂₄H₃₂O₅
• 分子量: 400.5
• InChiKey: AJCYLNKLYSODDY-BKLHAXPUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• ENZYMATIC PROCESS FOR OBTAINING 17 ALPHA- MONOESTERS OF CORTEXOLONE AND/OR ITS 9,11- DEHYDRODERIVATIVES
  申请人：Cosmo SPA

  公开号：US20140179654A1

  公开（公告）日：2014-06-26

  The present invention refers to a new enzymatic process for obtaining 17α-monoesters of cortexolone and/or its 9,11-dehydroderivatives starting from the corresponding 17α,21-diesters which comprises an enzymatic alcoholysis reaction. Furthermore, the present invention refers to new crystalline forms of cortexolone 17α-propionate and 9,11-dehydro-cortexolone 17α-butanoate.
• US9433628B2
  申请人：——

  公开号：US9433628B2

  公开（公告）日：2016-09-06
• US9486458B2
  申请人：——

  公开号：US9486458B2

  公开（公告）日：2016-11-08