FD-891 tetrabenzoate | 473901-41-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: FD-891 tetrabenzoate
• CAS: 473901-41-6
• 化学式: C₆₁H₇₀O₁₂
• 分子量: 995.22
• InChiKey: YJBWCINLEVHJIU-YGEVPIJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.73
• 重原子数：
  73.0
• 可旋转键数：
  17.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  153.26
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  描述：

  FD-891 tetrabenzoate 在 4-二甲氨基吡啶 、 臭氧 作用下， 以 吡啶 、 甲醇 为溶剂， 反应 16.25h， 生成
  参考文献：
  名称：

  Stereostructure of a Novel Cytotoxic 18-Membered Macrolactone Antibiotic FD-891

  摘要：

  [GRAPHICS]The absolute stereochemistry of FD-891, a novel cytotoxic 18-membered macrolactone antibiotic, was determined by a synthetic approach as well as X-ray diffraction of degradative derivatives. The absolute configuration of FD-891 turned out to be as shown above. The stable conformer of FD-891 was also discussed with respect to biological activity by comparison with the structurally related concanamycin A on the bases of molecular mechanics calculations.

  DOI：

  10.1021/ol026518k
• 作为产物：
  描述：

  苯甲酰氯 、 FD-891 在 4-二甲氨基吡啶 作用下， 以 吡啶 为溶剂， 反应 6.5h， 以92%的产率得到FD-891 tetrabenzoate
  参考文献：
  名称：

  Stereostructure of a Novel Cytotoxic 18-Membered Macrolactone Antibiotic FD-891

  摘要：

  [GRAPHICS]The absolute stereochemistry of FD-891, a novel cytotoxic 18-membered macrolactone antibiotic, was determined by a synthetic approach as well as X-ray diffraction of degradative derivatives. The absolute configuration of FD-891 turned out to be as shown above. The stable conformer of FD-891 was also discussed with respect to biological activity by comparison with the structurally related concanamycin A on the bases of molecular mechanics calculations.

  DOI：

  10.1021/ol026518k