rhabdastrellin F | 1064688-67-0

• 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: rhabdastrellin F
• 英文别名: methyl (2E,4E,6E,8E,10Z)-10-[(3aS,5aR,7S,9aR,9bS)-7-hydroxy-3a,6,6,9a-tetramethyl-2-oxo-1,4,5,5a,7,8,9,9b-octahydrocyclopenta[a]naphthalen-3-ylidene]-2,6-dimethylundeca-2,4,6,8-tetraenoate
• CAS: 1064688-67-0
• 化学式: C₃₁H₄₄O₄
• 分子量: 480.688
• InChiKey: YEBUSFMLGJIWGK-JKXIPPLWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 Stellettin M 以 乙醚 为溶剂， 以2.3 mg的产率得到rhabdastrellin F
  参考文献：
  名称：

  Rhabdastrellins A−F, Isomalabaricane Triterpenes from the Marine Sponge Rhabdastrella aff. distincta

  摘要：

  Chemical examination of the marine sponge Rhabdastrella aff. distincta resulted in the isolation of six new isomalabaricane triterpenes, rhabdastrellins A-F (1-6), which were present as minor components, along with stellettins L and A Their structures were elucidated on the basis of extensive spectroscopic data analyses and comparison with spectroscopic data of known analogues. The cytotoxicity of compounds 1-6 against a small panel of human tumor cell lines was also evaluated.

  DOI：

  10.1021/np800324v