litophynol B | 162831-74-5

• 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: litophynol B
• 英文别名: [(1S,2R,6R,7R,8R,9R,12S,13R,14S)-12,13,14-trihydroxy-9,13-dimethyl-3-methylidene-6-propan-2-yl-15-oxatricyclo[6.6.1.02,7]pentadecan-9-yl] butanoate
• CAS: 162831-74-5
• 化学式: C₂₄H₄₀O₆
• 分子量: 424.578
• InChiKey: PQYFROFSCDOVOT-NTWQZCSUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  96.2
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  litophynol C 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 以1.1 mg的产率得到litophynol B
  参考文献：
  名称：

  Polyoxygenated diterpenoids of the eunicellin-type from the Chinese soft coral Cladiella krempfi

  摘要：

  A detailed chemical investigation of the Chinese soft coral Cladiella krempfi has yielded four new eunicellin-based diterpenoids along with five known compounds. The stereostructures of the new metabolites have been elucidated by extensive spectroscopic analysis, mainly based on 2D NMR spectroscopy, and by chemical transformations. A remarkable variation in the diterpene composition in dependence of the exact site of collection was observed. Some of the isolated diterpenoids were shown to exhibit antiproliferative activity against C6 glioma cells, multi-drug resistant tumor cell line. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.12.051