| 214287-60-2

• 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
• CAS: 214287-60-2
• 化学式: C₂₉H₃₉NO₅
• 分子量: 481.632
• InChiKey: YMZMCDPCXWBIMW-QNBFPHRGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.49
• 重原子数：
  35.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  77.35
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  在 palladium dihydroxide 伯吉斯试剂 、 氢气 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 2.25h， 生成 (1S,2S,4R,5R,8R,9S,11R)-9-cyano-2-(methoxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid
  参考文献：
  名称：

  Alkyl side-chain derivatives of sordaricin as potent antifungal agents against yeast

  摘要：

  Sordarin (1) was converted to 5 and 6, which showed potent antifungal activity against yeast. A series of C1-C9 alkyl side-chain derivatives was prepared, from which it was found that the optimal activity occurred with C5. A comparison of side chains with different unsaturation showed that the cis-alkene was the most active. This result suggested that the folding of the side chains might be crucial for the optimal activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00401-6
• 作为产物：
  描述：

  (4-methoxyphenyl)methyl (1R,2S,4R,5R,8R,9S,11R)-9-formyl-2-(hydroxymethyl)-5-methyl-13-propan-2-yltetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylate 在 吡啶 、 盐酸羟胺 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Alkyl side-chain derivatives of sordaricin as potent antifungal agents against yeast

  摘要：

  Sordarin (1) was converted to 5 and 6, which showed potent antifungal activity against yeast. A series of C1-C9 alkyl side-chain derivatives was prepared, from which it was found that the optimal activity occurred with C5. A comparison of side chains with different unsaturation showed that the cis-alkene was the most active. This result suggested that the folding of the side chains might be crucial for the optimal activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00401-6