(8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol | 871840-07-2

• 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: (8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
• 英文别名: (8R,9S,10S,13S,14S,17S)-10-ethenyl-3,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-ol
• CAS: 871840-07-2
• 化学式: C₂₁H₃₀O
• 分子量: 298.469
• InChiKey: PPGVWCDLIZEUNC-PXQJOHHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol 在 N-甲基吲哚酮 、 四丙基高钌酸铵 作用下， 以53%的产率得到
  参考文献：
  名称：

  Androstene-3,5-dienes as ER-β selective SERMs

  摘要：

  A series of androstene-3,5-diene derivatives were prepared. Despite lacking the C-3 hydroxyl previously believed necessary for ER activity, some of the analogs retained surprising affinity for ER-beta. For example, diene 4 retained excellent selectivity and potency as an ER-beta agonist and was more selective for ER-beta over the androgen receptor (AR). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.001
• 作为产物：
  描述：

  在 四丁基溴化铵 作用下， 以 四氢呋喃 为溶剂， 生成 (8R,9S,10S,13S,14S,17S)-3,13-dimethyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
  参考文献：
  名称：

  Androstene-3,5-dienes as ER-β selective SERMs

  摘要：

  A series of androstene-3,5-diene derivatives were prepared. Despite lacking the C-3 hydroxyl previously believed necessary for ER activity, some of the analogs retained surprising affinity for ER-beta. For example, diene 4 retained excellent selectivity and potency as an ER-beta agonist and was more selective for ER-beta over the androgen receptor (AR). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.001