ethyl brevifolin carboxylate triacetate | 136005-75-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 英文名称: ethyl brevifolin carboxylate triacetate
• 英文别名: ethyl 7,8,9-triacetyloxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylate
• CAS: 136005-75-9
• 化学式: C₂₁H₁₈O₁₁
• 分子量: 446.367
• InChiKey: SPQKSQPQPPEPSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  149
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  7,8,9-三羟基-3,5-二氧代-1,2-二氢环戊烯并[c]异苯并吡喃-1-羧酸乙酯 、 乙酸酐 在 吡啶 作用下， 反应 2.0h， 以9 mg的产率得到ethyl brevifolin carboxylate triacetate
  参考文献：
  名称：

  Ethyl brevifolin carboxylate from Flueggea microcarpa

  摘要：

  The leaves of Flueggea microcarpa contain the ethyl ester of brevifolin carboxylic acid. The elucidation of the structure of this isocoumarin involved extensive use of H-1 and C-13 NMR data, which are fully reported and analysed for the first time; especially useful were long-range C-H coupling interactions. NMR parameters for some models, including norbergenin, as well as pyrogallol, gallic acid and their triacetates, are also reported.

  DOI：

  10.1016/0031-9422(91)83676-c

文献信息

• GOTTLIEB, HUGO E.;KUMAR, SANDEEP;SAHAI, MAHENDRA;RAY, ANIL B., PHYTOCHEMISTRY, 30,(1991) N, C. 2435-2438
  作者：GOTTLIEB, HUGO E.、KUMAR, SANDEEP、SAHAI, MAHENDRA、RAY, ANIL B.

  DOI：——

  日期：——