matlaline | 1171822-79-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: matlaline
• 英文别名: (1R,12R,14R)-5,12-dihydroxy-11-oxo-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,13-dioxatetracyclo[10.3.1.01,9.03,8]hexadeca-3(8),4,6,9-tetraene-14-carboxylic acid
• CAS: 1171822-79-9
• 化学式: C₂₁H₂₂O₁₂
• 分子量: 466.398
• InChiKey: KVCDMLSZBATQNF-VLCXNZKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  203
• 氢给体数：
  7
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  matlaline 在 ammonium hydroxide 作用下， 以 水 为溶剂， 反应 0.08h， 生成
  参考文献：
  名称：

  Structure and Formation of the Fluorescent Compound of Lignum nephriticum

  摘要：

  The intense blue fluorescence of the infusion of Lignum nephriticum (Eysenhardtia polystachya), first observed in the sixteenth century, is due to a novel four-ring tetrahydromethanobenzofuro[2,3-d]oxacine which is not present in the plant but is the end product of an unusual, very efficient iterative spontaneous oxidation of at least one of the tree's flavonoids.

  DOI：

  10.1021/ol901022g
• 作为产物：
  描述：

  coatline B 在 氧气 、 sodium hydroxide 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 4.0h， 以93%的产率得到matlaline
  参考文献：
  名称：

  Structure and Formation of the Fluorescent Compound of Lignum nephriticum

  摘要：

  The intense blue fluorescence of the infusion of Lignum nephriticum (Eysenhardtia polystachya), first observed in the sixteenth century, is due to a novel four-ring tetrahydromethanobenzofuro[2,3-d]oxacine which is not present in the plant but is the end product of an unusual, very efficient iterative spontaneous oxidation of at least one of the tree's flavonoids.

  DOI：

  10.1021/ol901022g