botcinin H | 874362-45-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: botcinin H
• 英文别名: [(2S,3R,4R,4aS,7R,8S,8aS)-3-hydroxy-2,4,7,8a-tetramethyl-6-oxo-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-8-yl] acetate
• CAS: 874362-45-5
• 化学式: C₁₄H₂₂O₆
• 分子量: 286.325
• InChiKey: LWOSIIPXAIJGAY-XXVCXOIQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [(2S,3R,4R,4aS,7R,8S,8aS)-8-acetyloxy-2,4,7,8a-tetramethyl-6-oxo-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-3-yl] (4S)-4-hydroxyoctanoate 在 盐酸 作用下， 反应 1.0h， 以6.2 mg的产率得到botcinin H
  参考文献：
  名称：

  Botcinins A, B, C, and D, Metabolites Produced by Botrytis cinerea, and Their Antifungal Activity against Magnaporthe grisea, a Pathogen of Rice Blast Disease

  摘要：

  Four new metabolites, botcinins A-D (1-4), were isolated from the culture filtrate of a strain of Botrytis cinerea. Their structures were determined by spectroscopic methods, mainly NMR techniques, molecular modeling, and the modified Mosher's method. They exhibited antifungal activities against Magnaporthe grisea, a pathogen of rice blast disease. Botcinins B and C have a MIC of 12.5 mu M, and botcinins A and D are not active below 100 mu M.

  DOI：

  10.1021/np0503855