bartramiaflavone | 135117-91-8

• 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: bartramiaflavone
• 英文别名: 3,4,12,14,17,18,22,26,28-Nonahydroxy-9,30-dioxaheptacyclo[20.6.2.28,11.02,7.010,15.016,21.025,29]dotriaconta-1(29),2(7),3,5,8(32),10,12,14,16(21),17,19,25,27-tridecaene-24,31-dione
• CAS: 135117-91-8
• 化学式: C₃₀H₁₈O₁₃
• 分子量: 586.465
• InChiKey: XQTQGEORWSFOOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  43
• 可旋转键数：
  0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  235
• 氢给体数：
  9
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  bartramiaflavone 在 硫酸 作用下， 反应 0.25h， 生成 anhydro-bartramiaflavone
  参考文献：
  名称：

  Bartramiaflavone, a macrocyclic biflavonoid from the moss Bartramia pomiformis

  摘要：

  The novel macrocyclic biflavonoid bartramiaflavone, which consists of two equilibrating cyclo-oxo tautomers has been isolated from Bartramia pomiformis. It is easily dehydrated to anhydro-bartramiaflavone, a doubly linked biluteolin. The structures of the compounds were elucidated spectroscopically.

  DOI：

  10.1016/0031-9422(91)84227-j
• 作为产物：
  描述：

  5,6,9,11,19,20,23,25,31-Nonahydroxy-29-oxahexacyclo[20.6.2.18,12.02,7.016,21.026,30]hentriaconta-1(28),2(7),3,5,8(31),9,11,16(21),17,19,22,24,26(30)-tridecaene-13,15,27-trione 生成 bartramiaflavone
  参考文献：
  名称：

  SEEGER, TASSILO;GEIGER, HANS;ZINSMEISTER, HANS DIETMAR, PHYTOCHEMISTRY, 30,(1991) N, C. 1653-1656

  摘要：

  DOI：

文献信息

• SEEGER, TASSILO;GEIGER, HANS;ZINSMEISTER, HANS DIETMAR, PHYTOCHEMISTRY, 30,(1991) N, C. 1653-1656
  作者：SEEGER, TASSILO、GEIGER, HANS、ZINSMEISTER, HANS DIETMAR

  DOI：——

  日期：——
• Bartramiaflavone, a macrocyclic biflavonoid from the moss Bartramia pomiformis
  作者：Tassilo Seeger、Hans Geiger、Hans Dietmar Zinsmeister

  DOI：10.1016/0031-9422(91)84227-j

  日期：1991.1

  The novel macrocyclic biflavonoid bartramiaflavone, which consists of two equilibrating cyclo-oxo tautomers has been isolated from Bartramia pomiformis. It is easily dehydrated to anhydro-bartramiaflavone, a doubly linked biluteolin. The structures of the compounds were elucidated spectroscopically.