(3S,8R,9S,10S,13S,14S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-10-vinyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one | 866824-67-1

• 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: (3S,8R,9S,10S,13S,14S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-10-vinyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one
• CAS: 866824-67-1
• 化学式: C₂₆H₄₂O₂Si
• 分子量: 414.704
• InChiKey: RPWQDXUEQZPELA-BNCSLUSBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.07
• 重原子数：
  29.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  (3S,8R,9S,10S,13S,14S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-10-vinyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 (3S,8R,9S,10S,13S,14S,17R)-17-Ethynyl-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
  参考文献：
  名称：

  Androstenediol analogs as ER-β-selective SERMs

  摘要：

  A series of 19-substituted androstenediol derivatives was prepared. Some of the novel analogs were surprisingly potent and selective ligands for ER-beta. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.014
• 作为产物：
  描述：

  (3S,8R,9S,10S,13S,14S,17S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-10-vinyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol 在 N-甲基吲哚酮 、 四丙基高钌酸铵 作用下， 以 二氯甲烷 为溶剂， 生成 (3S,8R,9S,10S,13S,14S)-3-(tert-Butyl-dimethyl-silanyloxy)-13-methyl-10-vinyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-cyclopenta[a]phenanthren-17-one
  参考文献：
  名称：

  Androstenediol analogs as ER-β-selective SERMs

  摘要：

  A series of 19-substituted androstenediol derivatives was prepared. Some of the novel analogs were surprisingly potent and selective ligands for ER-beta. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.014