[(10R,11S,13S)-8-formyl-2-methoxy-10-methyl-14-oxo-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-1(9),2,5,7-tetraen-6-yl]methyl acetate | 1026353-13-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: [(10R,11S,13S)-8-formyl-2-methoxy-10-methyl-14-oxo-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-1(9),2,5,7-tetraen-6-yl]methyl acetate
• CAS: 1026353-13-8
• 化学式: C₁₈H₁₆O₇
• 分子量: 344.321
• InChiKey: LSBVDUXDJGUPSU-WOAWFYLCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  95.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  angulifolin B 在 jones reagent 作用下， 以 丙酮 为溶剂， 以3.3 mg的产率得到[(10R,11S,13S)-8-formyl-2-methoxy-10-methyl-14-oxo-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-1(9),2,5,7-tetraen-6-yl]methyl acetate
  参考文献：
  名称：

  Cacalol Derivatives from Roldana angulifolia

  摘要：

  Four new modified eremophilanes, angulifolide (1) and angulifolins A-C (2-4), and two new triacetylglucosides (7 and 8) were isolated from Roldana angulifolia, together with several known compounds. The structures of the new compounds were elucidated by spectroscopic analysis and chemical reactions. The absolute configuration of compounds 2 and 3 was established by Mosher ester methodology. Cytotoxicity against selected human cancer cell lines was determined for the more abundant isolated metabolites.

  DOI：

  10.1021/np0604073