methyl (1R,4aS,10aR)-6-{[2-(2,4-dinitrophenyl)-hydrazinylidene]methyl}-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate | 1391928-74-7

• 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: methyl (1R,4aS,10aR)-6-{[2-(2,4-dinitrophenyl)-hydrazinylidene]methyl}-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
• 英文别名: Methyl (1r,4as,10ar)-6-{[2-(2,4-dinitrophenyl)-hydrazinylidene]methyl}-7-isopropyl-1,4a-dimeth-yl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate；methyl (1R,4aS,10aR)-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
• CAS: 1391928-74-7
• 化学式: C₂₈H₃₄N₄O₆
• 分子量: 522.601
• InChiKey: ZJNUIEDLZWYVDT-BIYCFNCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  142
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  methyl (1R,4aS,10aR)-6-formyl-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate 、 2,4-二硝基苯肼 以75%的产率得到methyl (1R,4aS,10aR)-6-{[2-(2,4-dinitrophenyl)-hydrazinylidene]methyl}-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylate
  参考文献：
  名称：

  Synthesis of ferrocenyl chalcones of the abietane series

  摘要：

  Two isomeric ferrocenyl chalcones having an abietane fragment were synthesized.

  DOI：

  10.1134/s1070428012060152