aspermytin A acetate | 678193-68-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: aspermytin A acetate
• 英文别名: [3-[(1R,2R,4aR,6S,8aS)-2-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-oxopropyl] acetate
• CAS: 678193-68-5
• 化学式: C₁₈H₂₈O₄
• 分子量: 308.418
• InChiKey: OIIOHRFMZLWLTK-AHMROAQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  aspermytin A acetate 在 四氧化锇 、 N-甲基吗啉氧化物 作用下， 以 叔丁醇 为溶剂， 反应 120.0h， 以7.9 mg的产率得到Acetic acid 3-oxo-3-((1R,2S,3R,4R,4aS,6S,8aS)-2,3,4-trihydroxy-1,2,6-trimethyl-decahydro-naphthalen-1-yl)-propyl ester
  参考文献：
  名称：

  Aspermytin A: a new neurotrophic polyketide isolated from a marine-derived fungus of the genus Aspergillus

  摘要：

  A new polyketide, aspermytin A (1), was isolated from a cultured marine fungus, Aspergillus sp., which was separated from the mussel, Mytilus edulis. Its structure was elucidated on the basis of their spectral data, and the absolute configuration of I was determined by the CD spectrum. Aspermytin A induced neurite outgrowth in rat pheochromocytoma (PC-12) cells at concentration of 50muM. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.053
• 作为产物：
  描述：

  乙酸酐 、 aspermytin A 在 吡啶 作用下， 以3.0 mg的产率得到aspermytin A acetate
  参考文献：
  名称：

  Aspermytin A: a new neurotrophic polyketide isolated from a marine-derived fungus of the genus Aspergillus

  摘要：

  A new polyketide, aspermytin A (1), was isolated from a cultured marine fungus, Aspergillus sp., which was separated from the mussel, Mytilus edulis. Its structure was elucidated on the basis of their spectral data, and the absolute configuration of I was determined by the CD spectrum. Aspermytin A induced neurite outgrowth in rat pheochromocytoma (PC-12) cells at concentration of 50muM. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.053