xylarinonericin C | 1499201-69-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: xylarinonericin C
• CAS: 1499201-69-2
• 化学式: C₃₅H₄₈O₁₄
• 分子量: 692.758
• InChiKey: KKMWWXUMXICVPD-WJFNYUPOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.04
• 重原子数：
  49.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  215.58
• 氢给体数：
  5.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  xylarinonericin C 在 水 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以0.8 mg的产率得到sordaricin
  参考文献：
  名称：

  Amide, cyclohexenone, and cyclohexenone–sordaricin derivatives from the endophytic fungus Xylaria plebeja PSU-G30

  摘要：

  Six new compounds, two cyclohexenones, named xylariacyclones A (1) and B (2), three cyclohexenone-sordaricin derivatives, named xylarinonericins A-C (3-5), and one amide derivative, named xylariamide (6), together with 11 known compounds were isolated from the broth extract of the endophytic fungus Xylaria plebeja FSU-G30. The structures were elucidated by analyses of NMR spectroscopic data and chemical methods. Compounds 3-5 are novel and unusual sodaricin derivatives with an ester moiety at C-6 of the sordaricin skeleton. In addition, compound 5 has a unique feature with an ester unit instead of an ether group at C-19. They were evaluated for antifungal activity against Candida albicans ATCC90028 and Oyptococcus neoformarts ATCC90113. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.10.063