4,5,6,18-Tetramethoxy-tricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-12-one | 137578-56-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 4,5,6,18-Tetramethoxy-tricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-12-one
• CAS: 137578-56-4
• 化学式: C₂₃H₂₈O₅
• 分子量: 384.472
• InChiKey: WTJWRXMLADAKAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.62
• 重原子数：
  28.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  杨梅酮 在 sodium hydroxide 、 三氟化硼乙醚 作用下， 反应 46.0h， 生成 4,5,6,18-Tetramethoxy-tricyclo[13.3.1.02,7]nonadeca-1(19),2(7),3,5,15,17-hexaen-12-one
  参考文献：
  名称：

  Two myricanol glycosides from Myrica rubra and revision of the structure of isomyricanone

  摘要：

  Two new diarylheptanoid glycosides were isolated from the stem bark of Myrica rubra (Myricaceae). On the basis of spectral and chemical evidence, their structures were established as myricanol 5-O-beta-D-glucopyranosyl-(1 --> 3)-beta-D-glucopyranoside and myricanol 5-O-alpha-L-arabinofuranosyl-(1 --> 6)-beta-D-glucopyranoside, respectively. The structure of isomyricanone was also reexamined chemically and physicochemically, and a revised structure is presented.

  DOI：

  10.1016/s0031-9422(00)98256-6