klymollin D | 1343433-88-4

• 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: klymollin D
• 英文别名: [(1R,2S,3S,4S,6R,7R,8R,9R,12S)-9-acetyloxy-12-hydroxy-9-methyl-13-methylidene-6-propan-2-ylspiro[15-oxatricyclo[6.6.1.02,7]pentadecane-3,2'-oxirane]-4-yl] acetate
• CAS: 1343433-88-4
• 化学式: C₂₄H₃₆O₇
• 分子量: 436.546
• InChiKey: MRLKNBMAHKIZKS-PWLVGILOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  94.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  klymollin D 、 甲氧基-三氟甲基苯 在 吡啶 作用下， 反应 24.0h， 以40%的产率得到[(1R,2R,3R,5S,6S,7S,8R,11S,14R)-5,14-diacetyloxy-14-methyl-10-methylidene-3-propan-2-ylspiro[15-oxatricyclo[6.6.1.02,7]pentadecane-6,2'-oxirane]-11-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  Klymollins A–H, Bioactive Eunicellin-Based Diterpenoids from the Formosan Soft Coral Klyxum molle

  摘要：

  Eight new eunicellin-based diterpenoids, klymollins A-H (1-8), were isolated during the chemical investigation of the soft coral Klyxum molle from Taiwan waters:. Their structures were elucidated by extensive spectroscopic analysis. The absolute configuration of 4 was determined by Mosher's method. Bioassays of the new metabolites showed that compounds 3-8 displayed significant in vitro anti-inflammatory activity by inhibiting the expression of the iNOS protein, and compounds 3, 4, and 6-8 also could effectively reduce the accumulation of COX-2 protein in LPS-stimulated RAW264.7 macrophage cells.

  DOI：

  10.1021/np200589n