Chlorohydroaspyrone B | 1043452-75-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: Chlorohydroaspyrone B
• 英文别名: B9-chloro-8-hydroxy-8,9-deoxyaspyrone；chlorohydroaspyrone；(2R,3S)-5-[(1S,2S)-2-chloro-1-hydroxypropyl]-3-hydroxy-2-methyl-2,3-dihydropyran-6-one
• CAS: 1043452-75-0
• 化学式: C₉H₁₃ClO₄
• 分子量: 220.653
• InChiKey: RFRJSDLXLVSACH-UGSJSWHKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  aspyrone 在 盐酸 作用下， 以 氯仿 、 水 为溶剂， 反应 0.5h， 以2.0 mg的产率得到(8R,9S)-8-chloro-9-hydroxy-8,9-deoxyaspyrone
  参考文献：
  名称：

  Chlorohydroaspyrones A and B, Antibacterial Aspyrone Derivatives from the Marine-Derived Fungus Exophiala sp.

  摘要：

  Chlorohydroaspyrones A (1) and B (2), antibacterial aspyrone derivatives, and the previously described aspyrone (3), asperlactone (4), and penicillic acid (5) have been isolated from the broth of a marine isolate of the fungus Evophiala. The structure and absolute stereochemistry of the Compounds were determined on the basis of the physicochemical data analysis and chemical reactions. Compounds I and 2 exhibited a mild antibacterial activity against Staphylococcus aureus, methicillin-resistant S. aureus, and multidrug-resistant S. aureus. The MIC values of each strain are as follows: compound 1 showed 62.5 mu g/mL for S. aureus and 125 mu g/mL for methicillin-resistant S. aureus and multidrug-resistant S. aureus. and compound 2, 62.5 mu g/mL for S. aureus and methicillin-resistant S. aureus and 125 mu g/mL for multidrug-resistant S. aureus.

  DOI：

  10.1021/np800107c