eleganketal A | 1618091-96-5

• 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: eleganketal A
• 英文别名: Eleganketal A；(3R)-4,5,5',6,6',7'-hexahydroxy-7,8'-dimethylspiro[1H-2-benzofuran-3,3'-1H-isochromene]-4'-one
• CAS: 1618091-96-5
• 化学式: C₁₈H₁₆O₉
• 分子量: 376.32
• InChiKey: NRYXVYOFLNWMAZ-SFHVURJKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  27
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  157
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  eleganketal A 、 碘甲烷 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以1 mg的产率得到(3R)-4,5,5',6,6',7'-hexamethoxy-7,8'-dimethylspiro[1H-2-benzofuran-3,3'-1H-isochromene]-4'-one
  参考文献：
  名称：

  Eleganketal A, a Highly Oxygenated Dibenzospiroketal from the Marine-Derived Fungus Spicaria elegans KLA03

  摘要：

  Eleganketal A (1), a naturally occurring aromatic polyketide possessing a rare highly oxygenated spiro[isobenzofuran-1,3'-isochroman] ring system, was isolated from the fungus Spicaria elegans KLA03 by culturing it in a modified mannitol-based medium. The structure of 1 including the absolute configuration was determined by combining spectroscopic analysis, synthesis of the racemic permethylated analogue, chiral-phase HPLC separation, and TDDFT-ECD analysis.

  DOI：

  10.1021/np500458a

文献信息

• Eleganketal A, a Highly Oxygenated Dibenzospiroketal from the Marine-Derived Fungus <i>Spicaria elegans</i> KLA03
  作者：Yepeng Luan、Hongjuan Wei、Zhenpei Zhang、Qian Che、Yankai Liu、Tianjiao Zhu、Attila Mándi、Tibor Kurtán、Qianqun Gu、Dehai Li

  DOI：10.1021/np500458a

  日期：2014.7.25

  Eleganketal A (1), a naturally occurring aromatic polyketide possessing a rare highly oxygenated spiro[isobenzofuran-1,3'-isochroman] ring system, was isolated from the fungus Spicaria elegans KLA03 by culturing it in a modified mannitol-based medium. The structure of 1 including the absolute configuration was determined by combining spectroscopic analysis, synthesis of the racemic permethylated analogue, chiral-phase HPLC separation, and TDDFT-ECD analysis.