11-acetoxycorniculatolide A | 1358550-69-2

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 木脂素内酯
• 英文名称: 11-acetoxycorniculatolide A
• 英文别名: (10-Oxo-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-4-yl) acetate
• CAS: 1358550-69-2
• 化学式: C₂₀H₂₀O₅
• 分子量: 340.376
• InChiKey: QIOBIPMBXYTOJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  combretastatin D-4 、 乙酸酐 在 吡啶 作用下， 以2 mg的产率得到11-acetoxycorniculatolide A
  参考文献：
  名称：

  Unusual Isomeric Corniculatolides from Mangrove, Aegiceras corniculatum

  摘要：

  Four new isomeric macrolides of combretastatin D-2 congeners named isocorniculatolide A (1), 11-O-methylisocorniculatolide A (2), 11-O-methylcomiculatolide A (3), and 12-hydroxy-11-O-methylcorniculatolide A (4), and the known corniculatolide A (5), arjunolic acid, and maslinic acid were isolated from the CHCl3 extract of the bark of Aegiceras corniculatum. The structures of the new compounds (1-4) were elucidated by a combination of spectroscopic analysis (1-5), chemical modifications, and single-crystal X-ray analysis (1).

  DOI：

  10.1021/np200789s

文献信息

• Unusual Isomeric Corniculatolides from Mangrove, <i>Aegiceras corniculatum</i>
  作者：M. Gowri Ponnapalli、S. CH. V. A. Rao Annam、Saidulu Ravirala、Sushma Sukki、Madhu Ankireddy、V. Raju Tuniki

  DOI：10.1021/np200789s

  日期：2012.2.24

  Four new isomeric macrolides of combretastatin D-2 congeners named isocorniculatolide A (1), 11-O-methylisocorniculatolide A (2), 11-O-methylcomiculatolide A (3), and 12-hydroxy-11-O-methylcorniculatolide A (4), and the known corniculatolide A (5), arjunolic acid, and maslinic acid were isolated from the CHCl3 extract of the bark of Aegiceras corniculatum. The structures of the new compounds (1-4) were elucidated by a combination of spectroscopic analysis (1-5), chemical modifications, and single-crystal X-ray analysis (1).