cynanchone A | 172519-50-5

• 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: cynanchone A
• 英文别名: 1-(1,7,10-Trihydroxy-6-methoxy-6-methylbenzo[c]chromen-2-yl)ethanone
• CAS: 172519-50-5
• 化学式: C₁₇H₁₆O₆
• 分子量: 316.31
• InChiKey: WROCHWGPLQNJBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  96.2
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cynanchone A 在 cynandione C 、 对甲苯磺酸 、 cynandione B 作用下， 以 丙酮 为溶剂， 反应 2.0h， 以3 mg的产率得到cynandione A
  参考文献：
  名称：

  Revised structures for four acetophenones from Cynanchum taiwanianum

  摘要：

  The structures of the acetophenones, cynanchone A and cynandiones B-C, from Cynanchum taiwanianum, elucidated on the basis of spectral and chemical evidence have been revised. Cynandione D was proved to be cynandione C, whereas cynanchone A and cynandiones B-C are probably artificial products from cynandione A. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(97)00073-3
• 作为产物：
  描述：

  cynandione A 在 silica gel 作用下， 以 甲醇 为溶剂， 反应 168.0h， 生成 cynanchone A 、 cynandione C 、 cynandione C
  参考文献：
  名称：

  Revised structures for four acetophenones from Cynanchum taiwanianum

  摘要：

  The structures of the acetophenones, cynanchone A and cynandiones B-C, from Cynanchum taiwanianum, elucidated on the basis of spectral and chemical evidence have been revised. Cynandione D was proved to be cynandione C, whereas cynanchone A and cynandiones B-C are probably artificial products from cynandione A. (C) 1997 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(97)00073-3

文献信息

• Revised structures for four acetophenones from Cynanchum taiwanianum
  作者：Yun-Lian Lin、Yang-Ming Wu、Yueh-Hsiung Kuo

  DOI：10.1016/s0031-9422(97)00073-3

  日期：1997.7

  The structures of the acetophenones, cynanchone A and cynandiones B-C, from Cynanchum taiwanianum, elucidated on the basis of spectral and chemical evidence have been revised. Cynandione D was proved to be cynandione C, whereas cynanchone A and cynandiones B-C are probably artificial products from cynandione A. (C) 1997 Elsevier Science Ltd. All rights reserved.