cortexolone 17α,21-divalerate | 1047669-61-3

• 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: cortexolone 17α,21-divalerate
• 英文别名: [2-[(8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-17-pentanoyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pentanoate
• CAS: 1047669-61-3
• 化学式: C₃₁H₄₆O₆
• 分子量: 514.703
• InChiKey: DXGXBXUJIUPMHS-ZNRCXUDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cortexolone 17α,21-divalerate 在 Candida cylandracea lipase 作用下， 以 甲苯 、 正丁醇 为溶剂， 反应 24.0h， 生成 cortexolone 17α-valerate
  参考文献：
  名称：

  Lipase-catalyzed preparation of corticosteroid 17α-esters endowed with antiandrogenic activity

  摘要：

  Several 17 alpha-monoesters of cortexolone and its Delta(9)-derivative are endowed with antiandrogenic activity. Their synthesis can be accomplished by means of a lipase-catalyzed chemoselective alcoholysis of the corresponding 17 alpha,21-diesters. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.086
• 作为产物：
  描述：

  戊酸酐 、 脱氧可的松 在 对甲苯磺酸 作用下， 以 various solvent(s) 为溶剂， 生成 cortexolone 17α,21-divalerate
  参考文献：
  名称：

  Lipase-catalyzed preparation of corticosteroid 17α-esters endowed with antiandrogenic activity

  摘要：

  Several 17 alpha-monoesters of cortexolone and its Delta(9)-derivative are endowed with antiandrogenic activity. Their synthesis can be accomplished by means of a lipase-catalyzed chemoselective alcoholysis of the corresponding 17 alpha,21-diesters. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.05.086

文献信息

• Lipase-catalyzed preparation of corticosteroid 17α-esters endowed with antiandrogenic activity
  作者：Patrizia Ferraboschi、Maria De Mieri、Laura Ragonesi

  DOI：10.1016/j.tetlet.2008.05.086

  日期：2008.7

  Several 17 alpha-monoesters of cortexolone and its Delta(9)-derivative are endowed with antiandrogenic activity. Their synthesis can be accomplished by means of a lipase-catalyzed chemoselective alcoholysis of the corresponding 17 alpha,21-diesters. (c) 2008 Elsevier Ltd. All rights reserved.