(2S,3aR,9bR)-7,8-dimethoxy-5-oxo-2-((R)-2-(((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)propyl)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromen-6-yl (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate | 1033204-29-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2S,3aR,9bR)-7,8-dimethoxy-5-oxo-2-((R)-2-(((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)propyl)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromen-6-yl (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
• CAS: 1033204-29-3
• 化学式: C₃₆H₃₄F₆O₁₁
• 分子量: 756.65
• InChiKey: VYOYGRZZDSPAGF-PQPYORINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.51
• 重原子数：
  53.0
• 可旋转键数：
  12.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  125.05
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为产物：
  描述：

  (12R)-12-hydroxymonocerin 、 甲氧基-三氟甲基苯 在 4-二甲氨基吡啶 作用下， 以 吡啶 为溶剂， 以89%的产率得到(2S,3aR,9bR)-7,8-dimethoxy-5-oxo-2-((R)-2-(((R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)oxy)propyl)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromen-6-yl (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  Bioactive Isocoumarins Isolated from the Endophytic Fungus Microdochium bolleyi

  摘要：

  Three new isocoumarin derivatives (2-4) were isolated together with monocerin (1) from Microdochium bolleyi, an endophytic fungus from Fagonia cretica, a herbaceous plant of the semiarid coastal regions of Gomera. Compounds 2 and 3 are both 12-oxo epimers of 1, and 4 is a ring-opened derivative of 1. The structures were elucidated by detailed spectroscopic analysis and comparison with reported data. The absolute configurations were determined by a modified Mosher's method. Compounds 1, 3, and 4 showed good antifungal, antibacterial, and antialgal activities against Microbotryum violaceum, Escherichia coli, Bacillus megaterium, and Chlorella fusca. Compound 2 was moderately antifungal and antialgal.

  DOI：

  10.1021/np800095g