(1R,9R,12S)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one | 1335000-99-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (1R,9R,12S)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one
• CAS: 1335000-99-1
• 化学式: C₁₅H₁₆O₆
• 分子量: 292.288
• InChiKey: APUXGZHCMAROOY-VJGMYXETSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-溴苯甲酰氯 、 (1R,9R,12S)-3,6-dihydroxy-4-methoxy-12-(2-oxopropyl)-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-8-one 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以10.1 mg的产率得到(1R,4R,10S)-8-methoxy-5-oxo-10-(2-oxopropyl)-1,3,4,5-tetrahydro-1,4-methanobenzo[c]oxepine-6,9-diyl bis(3-bromobenzoate)
  参考文献：
  名称：

  Dihydronaphthalenones from endophytic fungus Fusarium sp. BCC14842

  摘要：

  Eleven new dihydronaphthalenones 1-11, together with five known compounds; 5-hydroxydihydrofusarubin C (12), javanicin, bostrycoidin, anhydrofusarubin, and 3-O-methylfusarubin, were isolated from the endophytic fungus Fusarium sp. BCC14842. Structures were elucidated by analyses of the NMR spectroscopic and mass spectrometry data. Javanicin, 3-O-methylfusarubin, compounds 3 and 7 exhibited antimycobacterial and cytotoxic activities. Javanicin also displayed antifungal activity with IC50 of 6.16 mu g/mL, while compounds 2, 4, 5, 8, and 12 showed only cytotoxic activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.07.078