ethyl (1R,4aS,4bS,7S,8aR,10aS)-7-((2-(2,4-dinitrophenyl)hydrazineylidene)methyl)-1,4a,7-trimethyl-8a-vinyltetradecahydrophenanthrene-1-carboxylate | 1149372-09-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: ethyl (1R,4aS,4bS,7S,8aR,10aS)-7-((2-(2,4-dinitrophenyl)hydrazineylidene)methyl)-1,4a,7-trimethyl-8a-vinyltetradecahydrophenanthrene-1-carboxylate
• CAS: 1149372-09-7
• 化学式: C₂₉H₄₀N₄O₆
• 分子量: 540.66
• InChiKey: LCMWZODTVLVASG-LAKZQXNOSA-N

物化性质

• 沸点：
  614.6±55.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.05
• 重原子数：
  39.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  136.97
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  ethyl (1R,4aS,4bS,7S,8aR,10aS)-7-((2-(2,4-dinitrophenyl)hydrazineylidene)methyl)-1,4a,7-trimethyl-8a-vinyltetradecahydrophenanthrene-1-carboxylate 在 三氟化硼乙醚 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Stereoselective synthesis of 15- and 16-substituted isosteviol derivatives and their cytotoxic activities

  摘要：

  By means of functional interconversions in ring D of the tetracyclic diterpene isosteviol (ent-16-ketobeyeran-19-oic acid 1), various 15- and 16-substituted isosteviol derivatives were stereoselectively prepared. The cytotoxic activities in vitro of these new isosteviol derivatives were investigated, and some of them showed noteworthy activities against B16-F10 melanoma cells. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.12.101
• 作为产物：
  描述：

  ethyl (5β,8α,9β,10α,13α)-8-ethenyl-13-formyl-13-methylpodocarpan-15-oate 、 2,4-二硝基苯肼 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以81%的产率得到ethyl (1R,4aS,4bS,7S,8aR,10aS)-7-((2-(2,4-dinitrophenyl)hydrazineylidene)methyl)-1,4a,7-trimethyl-8a-vinyltetradecahydrophenanthrene-1-carboxylate
  参考文献：
  名称：

  Stereoselective synthesis of 15- and 16-substituted isosteviol derivatives and their cytotoxic activities

  摘要：

  By means of functional interconversions in ring D of the tetracyclic diterpene isosteviol (ent-16-ketobeyeran-19-oic acid 1), various 15- and 16-substituted isosteviol derivatives were stereoselectively prepared. The cytotoxic activities in vitro of these new isosteviol derivatives were investigated, and some of them showed noteworthy activities against B16-F10 melanoma cells. (C) 2009 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2008.12.101