bis((4R,4aS,6aR,8R,9S,11aR,11bS)-4-((3-hydroxypropoxy)carbonyl)-4,9,11b-trimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalen-8-yl) decanedioate | 1313192-89-0

• 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: bis((4R,4aS,6aR,8R,9S,11aR,11bS)-4-((3-hydroxypropoxy)carbonyl)-4,9,11b-trimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalen-8-yl) decanedioate
• CAS: 1313192-89-0
• 化学式: C₅₆H₉₀O₁₀
• 分子量: 923.325
• InChiKey: OPNCHDXFTUZLHV-DZHRGQPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.39
• 重原子数：
  66.0
• 可旋转键数：
  19.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  145.66
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  bis((4R,4aS,6aR,8R,9S,11aR,11bS)-4-((3-hydroxypropoxy)carbonyl)-4,9,11b-trimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalen-8-yl) decanedioate 、 丙二酰氯 以 四氯化碳 为溶剂， 反应 8.0h， 以61%的产率得到
  参考文献：
  名称：

  New malonate macrocycle bearing two isosteviol moieties and its adduct with fullerene C60

  摘要：

  Macrocycle having two isosteviol moieties and malonate fragment has been synthesised, and its ability to inhibit the growth of Mycobacterium tuberculosis H37Rv in vitro with MIC value of 1 mu g cm(-3) has been demonstrated. The macrocycle adds fullerene C-60 at the activated methylene group to furnish the corresponding methanofullerene conjugate.

  DOI：

  10.1016/j.mencom.2011.04.006
• 作为产物：
  描述：

  (4R,4aS,4'R,4a'S,6aR,6a'R,8R,8'R,9S,9'S,11aR,11bS,11a'R,11b'S)-8,8'-(decanedioylbis(oxy))bis(4,9,11b-trimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid) 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 bis((4R,4aS,6aR,8R,9S,11aR,11bS)-4-((3-hydroxypropoxy)carbonyl)-4,9,11b-trimethyltetradecahydro-6a,9-methanocyclohepta[a]naphthalen-8-yl) decanedioate
  参考文献：
  名称：

  New malonate macrocycle bearing two isosteviol moieties and its adduct with fullerene C60

  摘要：

  Macrocycle having two isosteviol moieties and malonate fragment has been synthesised, and its ability to inhibit the growth of Mycobacterium tuberculosis H37Rv in vitro with MIC value of 1 mu g cm(-3) has been demonstrated. The macrocycle adds fullerene C-60 at the activated methylene group to furnish the corresponding methanofullerene conjugate.

  DOI：

  10.1016/j.mencom.2011.04.006