methyl (R)-4-((5R,8S,9S,10R,13R,14S,17R)-3,6-bis(2-((2-methoxyphenyl)carbamothioyl)hydrazineylidene)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate | 1282612-17-2

• 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: methyl (R)-4-((5R,8S,9S,10R,13R,14S,17R)-3,6-bis(2-((2-methoxyphenyl)carbamothioyl)hydrazineylidene)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
• CAS: 1282612-17-2
• 化学式: C₄₁H₅₆N₆O₄S₂
• 分子量: 761.065
• InChiKey: GETHAQOXPKZHEM-BBWQTMOJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.55
• 重原子数：
  53.0
• 可旋转键数：
  10.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  117.6
• 氢给体数：
  4.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  猪去氧胆酸 在 盐酸 、 aluminum oxide 、 磷酸 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 24.04h， 生成 methyl (R)-4-((5R,8S,9S,10R,13R,14S,17R)-3,6-bis(2-((2-methoxyphenyl)carbamothioyl)hydrazineylidene)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
  参考文献：
  名称：

  Synthesis of new hyodeoxycholic acid thiosemicarbazone derivatives under solvent-free conditions using microwave

  摘要：

  An efficient and simple method for synthesis of new hyodeoxycholic acid thiosemicarbazone derivatives under solvent-free conditions using microwave has been developed. Its main advantages are short reaction times, good conversions and the environmentally friendly nature of the process. The preliminary results indicate that some of these compounds possess inhibitory effects against E. coli. (C) 2010 Zhi Gang Zhao. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.10.020