3β-Acetoxy-17,20α-dihydroxy-5α-pregn-9(11)-en-12-one 17,20α-Acetonide | 113555-62-7

• 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: 3β-Acetoxy-17,20α-dihydroxy-5α-pregn-9(11)-en-12-one 17,20α-Acetonide
• CAS: 113555-62-7
• 化学式: C₂₆H₃₈O₅
• 分子量: 430.585
• InChiKey: OEZIIOBUWZNDHC-NOBKODNXSA-N

物化性质

• 沸点：
  523.0±50.0 °C(predicted)
• 密度：
  1.16±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.97
• 重原子数：
  31.0
• 可旋转键数：
  1.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  重氮甲烷 、 3β-Acetoxy-17,20α-dihydroxy-5α-pregn-9(11)-en-12-one 17,20α-Acetonide 生成 Methyl 3β-Acetoxy-17,20α-dihydroxy-9-oxo-9,12-seco-11-nor-5α-pregnan-12-oate 17,20-Acetonide 、 methyl 3β,20α-diacetoxy-17-hydroxy-9-oxo-9,12-seco-11-nor-5α-pregnan-12-oate
  参考文献：
  名称：

  Steroids and related products. LIII.1 The synthesis of 11-oxa steroids. V.2 The synthesis of 17-ethynyl-11-oxatestosterone3

  摘要：

  The synthesis of 17-ethynyl-11-oxatestosterone, both from 11-oxa-5 alpha-pregnane-3,20-dione and, via a 3,17-dioxygenated 9-oxo 9,12-seco 11-nor 5 alpha-androstane-12-oic ester, from 3 beta-acetoxy-17-hydroxy-5 alpha-pregnan-12-one--two products available from hecogenin--is reported. The new hormone analogue shows significant progestational activity in the Clauberg test and relatively weak activity in a post-coital antifertility assay.

  DOI：

  10.1016/0039-128x(86)90054-1
• 作为产物：
  描述：

  3β-Acetoxy-17,20α-dihydroxy-5α-pregnan-12-one 17,20α-Acetonide 在 盐酸 、 selenium(IV) oxide 、 高氯酸 作用下， 以 溶剂黄146 为溶剂， 反应 23.0h， 生成 3β-Acetoxy-17,20α-dihydroxy-5α-pregn-9(11)-en-12-one 17,20α-Acetonide
  参考文献：
  名称：

  Steroids and related products. LIII.1 The synthesis of 11-oxa steroids. V.2 The synthesis of 17-ethynyl-11-oxatestosterone3

  摘要：

  The synthesis of 17-ethynyl-11-oxatestosterone, both from 11-oxa-5 alpha-pregnane-3,20-dione and, via a 3,17-dioxygenated 9-oxo 9,12-seco 11-nor 5 alpha-androstane-12-oic ester, from 3 beta-acetoxy-17-hydroxy-5 alpha-pregnan-12-one--two products available from hecogenin--is reported. The new hormone analogue shows significant progestational activity in the Clauberg test and relatively weak activity in a post-coital antifertility assay.

  DOI：

  10.1016/0039-128x(86)90054-1