(+)-de-4',4''-O-dimethylepimagnolin A

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 呋喃类木脂素
• 英文名称: (+)-de-4',4''-O-dimethylepimagnolin A
• 英文别名: 4-[(3R,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
• 化学式: C₂₁H₂₄O₇
• 分子量: 388.417
• InChiKey: VJOBNGRIBLNUKN-MFRYECHYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  86.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (+)-epimagnolin A 反应 72.0h， 以61 mg的产率得到(+)-de-O-methylepimagnolin A
  参考文献：
  名称：

  Microbial oxidation of (+)-epimagnolin a by Aspergillus niger

  摘要：

  Microbial transformation of (+)-epimagnolin A has been investigated using Aspergillus niger. (+)-Epimagnolin A was regioselectively oxidized at the para-methoxyl group of its veratryl group and converted to (+)-de-O-methylepimagnolin A. This metabolic product was then further oxidized at the para-position of its 3,4,5-trimethoxyphenyl group and (+)-de-4',4''-O-dimethylepimagnolin A was yielded. The structures of the metabolic products were determined by spectroscopic methods, as well as by comparison of spectral data with those of known related compounds.

  DOI：

  10.1016/s0031-9422(00)94820-9