6-hydroxy-6a,12a-dehydrodeguelin

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 6-hydroxy-6a,12a-dehydrodeguelin
• 英文别名: 22-Hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one；22-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
• 化学式: C₂₃H₂₀O₇
• 分子量: 408.408
• InChiKey: MOMKOGNUPUNXPC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-hydroxy-6a,12a-dehydrodeguelin 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 72.0h， 以96.5%的产率得到6-oxo-6a,12a-dehydrodeguelin
  参考文献：
  名称：

  Rotenoid derivatives and other constituents of the twigs of Millettia duchesnei

  摘要：

  Three prenylated rotenoids, elliptol, 12-deoxo-12 alpha-methoxyelliptone and 6-methoxy-6a, 12a-dehydrodeguelin were isolated from the twigs of Millettia duchesnei, together with the known compounds, 6a,12a-dehydrodeguelin, 6-hydroxy-6a, 12a-dehydrodeguelin, 6-oxo-6a, 12a-dehydrodeguelin, elliptone, 12a-hydroxyelliptone and eriodictyol. Their structures were elucidated on the basis of spectral data and comparison with information reported in the literature and with authentic specimens for some known compounds. The full NMR data of 6-oxo-6a, 12a-dehydrodeguelin and 6-hydroxy-6a, 12a-dehydrodeguelin are reported here for the first time. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2007.05.038

文献信息

• Rotenoid derivatives and other constituents of the twigs of Millettia duchesnei
  作者：François Ngandeu、Merhatibeb Bezabih、Dieudonne Ngamga、Alembert T. Tchinda、Bonaventure T. Ngadjui、Berhanu M. Abegaz、Hanh Dufat、François Tillequin

  DOI：10.1016/j.phytochem.2007.05.038

  日期：2008.1

  Three prenylated rotenoids, elliptol, 12-deoxo-12 alpha-methoxyelliptone and 6-methoxy-6a, 12a-dehydrodeguelin were isolated from the twigs of Millettia duchesnei, together with the known compounds, 6a,12a-dehydrodeguelin, 6-hydroxy-6a, 12a-dehydrodeguelin, 6-oxo-6a, 12a-dehydrodeguelin, elliptone, 12a-hydroxyelliptone and eriodictyol. Their structures were elucidated on the basis of spectral data and comparison with information reported in the literature and with authentic specimens for some known compounds. The full NMR data of 6-oxo-6a, 12a-dehydrodeguelin and 6-hydroxy-6a, 12a-dehydrodeguelin are reported here for the first time. (C) 2007 Elsevier Ltd. All rights reserved.