pyrenulin | 1262120-34-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: pyrenulin
• 英文别名: Methyl 4,12-dihydroxy-10-methoxy-6-methyl-2-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-8-carboxylate；methyl 4,12-dihydroxy-10-methoxy-6-methyl-2-oxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-8-carboxylate
• CAS: 1262120-34-2
• 化学式: C₁₆H₁₄O₇
• 分子量: 318.283
• InChiKey: UTTGNTRKDZBEQL-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：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  pyrenulin 、 乙酸酐 在 吡啶 作用下， 以4.6 mg的产率得到
  参考文献：
  名称：

  Naphthopyrones from Cultured Lichen Mycobionts of Pyrenula sp.

  摘要：

  Spore-derived mycobionts of the lichen Pyrenula sp. were cultivated on a malt-yeast extract medium supplemented with 10% sucrose and their metabolites were investigated. A new naphthopyrone derivative, pyrenulin, as well as toralactone were isolated. Their structures were determined by spectroscopic methods. This is the first instance of the isolation of naphthalene derivatives from lichen mycobionts.

  DOI：

  10.3987/com-10-11989