(2S,3aR,4R,5R,7S,8S,9R,9aS,12R)-5-(((4-acetoxybenzoyl)carbamoyl)oxy)-8-(formyloxy)-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-2-yl 2,2-dichloroacetate | 1234677-78-1

• 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: (2S,3aR,4R,5R,7S,8S,9R,9aS,12R)-5-(((4-acetoxybenzoyl)carbamoyl)oxy)-8-(formyloxy)-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-2-yl 2,2-dichloroacetate
• CAS: 1234677-78-1
• 化学式: C₃₃H₃₉Cl₂NO₁₀
• 分子量: 680.579
• InChiKey: ORVIEKAKGZBNLY-ALEKCAMCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.35
• 重原子数：
  46.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  151.37
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (2S,3aR,4R,5R,7S,8S,9R,9aS,12R)-5-(((4-acetoxybenzoyl)carbamoyl)oxy)-8-(formyloxy)-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-2-yl 2,2-dichloroacetate 在 乙醇 、 potassium hydroxide 作用下， 反应 1.0h， 以70.2%的产率得到(2S,3aR,4R,5R,7S,8S,9R,9aS,12R)-2,8-dihydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-5-yl (4-hydroxybenzoyl)carbamate
  参考文献：
  名称：

  Synthesis and antibacterial activity of C-2(S)-substituted pleuromutilin derivatives

  摘要：

  In order to probe the effect of C-2(S)-substituted groups in the antibacterial activity. a series of novel C-2(S)-substituted pleuromutilin analogues of SB-225586 were synthesized and evaluated for then in vitro antibacterial activity. The results of antibacterial activities indicated that C-2(S)-substituted pleuromutilin derivatives retained appreciable antibacterial activity, and the 2-fluorination compounds 6a and 6b are more potent than the corresponding 2-hydroxylation analogues 7a and 7b. (C) 2010 Yu She Yang Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved

  DOI：

  10.1016/j.cclet.2010.01.001
• 作为产物：
  描述：

  4-acetoxybenzoyl chloride 、 (2S,3aR,4R,5R,7S,8S,9R,9aS,12R)-8-(formyloxy)-5-hydroxy-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-2-yl 2,2-dichloroacetate 、 silver cyanate 以 二氯甲烷 为溶剂， 以72.9%的产率得到(2S,3aR,4R,5R,7S,8S,9R,9aS,12R)-5-(((4-acetoxybenzoyl)carbamoyl)oxy)-8-(formyloxy)-4,7,9,12-tetramethyl-3-oxo-7-vinyldecahydro-4,9a-propanocyclopenta[8]annulen-2-yl 2,2-dichloroacetate
  参考文献：
  名称：

  Synthesis and antibacterial activity of C-2(S)-substituted pleuromutilin derivatives

  摘要：

  In order to probe the effect of C-2(S)-substituted groups in the antibacterial activity. a series of novel C-2(S)-substituted pleuromutilin analogues of SB-225586 were synthesized and evaluated for then in vitro antibacterial activity. The results of antibacterial activities indicated that C-2(S)-substituted pleuromutilin derivatives retained appreciable antibacterial activity, and the 2-fluorination compounds 6a and 6b are more potent than the corresponding 2-hydroxylation analogues 7a and 7b. (C) 2010 Yu She Yang Published by Elsevier B.V. on behalf of Chinese Chemical Society. All rights reserved

  DOI：

  10.1016/j.cclet.2010.01.001