2-((8S,9S,13S,14S,17S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-((trimethylsilyl)oxy)propanenitrile | 1461709-40-9

• 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: 2-((8S,9S,13S,14S,17S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-((trimethylsilyl)oxy)propanenitrile
• CAS: 1461709-40-9
• 化学式: C₂₅H₃₇NO₂Si
• 分子量: 411.66
• InChiKey: IVSRQGXHNMYZOJ-FLEOUKIISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  42.25
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-((8S,9S,13S,14S,17S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-((trimethylsilyl)oxy)propanenitrile 在 lithium hydroxide monohydrate 、 zinc(II) iodide 作用下， 以 四氢呋喃 、 乙醚 、 水 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Synthesis of novel estrone analogs by incorporation of thiophenols via conjugate addition to an enone side chain

  摘要：

  Functionalized estrogen analogs have received interest due their unique and differning activity compared th their parent compounds. The synthesis of a tionalized at the C17 position possessing both alkyl and described, along with their thiophenol conjugate addition to their unique and differing biological activnew class of 3-methoxyestrone analogs funcaryl substituted ot,alpha,beta-unsaturated ketones is products. (C) 2013 Published by Elsevier Inc.

  DOI：

  10.1016/j.steroids.2013.07.005
• 作为产物：
  描述：

  (8S,9S,13S,14S)-17-ethylidene-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene 在 sodium acetate 、 9-硼双环[3.3.1]壬烷 、 pyridinium chlorochromate 、 zinc(II) iodide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 25.0h， 生成 2-((8S,9S,13S,14S,17S)-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-((trimethylsilyl)oxy)propanenitrile
  参考文献：
  名称：

  Synthesis of novel estrone analogs by incorporation of thiophenols via conjugate addition to an enone side chain

  摘要：

  Functionalized estrogen analogs have received interest due their unique and differning activity compared th their parent compounds. The synthesis of a tionalized at the C17 position possessing both alkyl and described, along with their thiophenol conjugate addition to their unique and differing biological activnew class of 3-methoxyestrone analogs funcaryl substituted ot,alpha,beta-unsaturated ketones is products. (C) 2013 Published by Elsevier Inc.

  DOI：

  10.1016/j.steroids.2013.07.005