(2R,5R,7S,8R,9S)-2-((1R,1'R,2'S,3S,4'S)-1-ethyl-4'-((1S,2S,4R,5R)-5-ethyl-2,4,5-trimethylcyclohexyl)-2'-methyl-[1,1'-bi(cyclopentan)]-3-yl)-7-((2R,3R,4S)-3-ethyl-4-methyl-5-methyleneoctan-2-yl)-2,8,9-trimethylspiro[4.5]decane | 127648-47-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (2R,5R,7S,8R,9S)-2-((1R,1'R,2'S,3S,4'S)-1-ethyl-4'-((1S,2S,4R,5R)-5-ethyl-2,4,5-trimethylcyclohexyl)-2'-methyl-[1,1'-bi(cyclopentan)]-3-yl)-7-((2R,3R,4S)-3-ethyl-4-methyl-5-methyleneoctan-2-yl)-2,8,9-trimethylspiro[4.5]decane
• CAS: 127648-47-9
• 化学式: C₃₈H₆₆O₁₁
• 分子量: 698.935
• InChiKey: AHJRIRVOQWNALR-MWDNDLMXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  49.0
• 可旋转键数：
  11.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  142.37
• 氢给体数：
  3.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  莫能菌素 、 乙醇 在 4-吡咯烷基吡啶 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以71%的产率得到(2R,5R,7S,8R,9S)-2-((1R,1'R,2'S,3S,4'S)-1-ethyl-4'-((1S,2S,4R,5R)-5-ethyl-2,4,5-trimethylcyclohexyl)-2'-methyl-[1,1'-bi(cyclopentan)]-3-yl)-7-((2R,3R,4S)-3-ethyl-4-methyl-5-methyleneoctan-2-yl)-2,8,9-trimethylspiro[4.5]decane
  参考文献：
  名称：

  Synthesis and antimicrobial properties of Monensin A esters

  摘要：

  The esters (2-10) of the ionophore antibiotic Monensin (1) were synthesized by four different methods, which are discussed in detail. These new esters were characterized by various spectroscopic techniques and subsequently tested in the face of their antimicrobial properties. Three derivatives (3, 8 and 10) showed activity against Gram-positive bacteria. Additionally derivative (10) exhibited a relatively low antifungal activity against Candida in contrast to Monensin A. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.03.038