| 1047979-48-5

• 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
• CAS: 1047979-48-5
• 化学式: C₆₀H₇₆N₆O₄Si₂
• 分子量: 1001.47
• InChiKey: LZVPKVJNOJNWEL-VGFWVVDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.06
• 重原子数：
  72.0
• 可旋转键数：
  10.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  120.34
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 以98%的产率得到(8R,9S,13S,14S,17R)-17-ethynyl-3-[[1-[[3-[[4-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxymethyl]triazol-1-yl]methyl]phenyl]methyl]triazol-4-yl]methoxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
  参考文献：
  名称：

  A Straightforward Synthesis of Tetrameric Estrone-Based Macrocycles

  摘要：

  A straightforward approach to macrocycles having four estrone-derived nuclei by the sequential Cu-catalyzed Huisgen azide-alkyne cycloaddition-Glaser-Eglington Cu homocoupling has been developed. Due to its efficiency and simplicity, this sequence is useful for application to different natural product scaffolds.

  DOI：

  10.1021/ol801313g
• 作为产物：
  描述：

  (8R,9S,13S,14S,17S)-13-methyl-3-(prop-2-yn-1-yloxy)-17-((trimethylsilyl)ethynyl)-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ol 、 1,3-双(叠氮甲基)苯 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 以72%的产率得到
  参考文献：
  名称：

  A Straightforward Synthesis of Tetrameric Estrone-Based Macrocycles

  摘要：

  A straightforward approach to macrocycles having four estrone-derived nuclei by the sequential Cu-catalyzed Huisgen azide-alkyne cycloaddition-Glaser-Eglington Cu homocoupling has been developed. Due to its efficiency and simplicity, this sequence is useful for application to different natural product scaffolds.

  DOI：

  10.1021/ol801313g