| 1130996-63-2

• 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
• CAS: 1130996-63-2
• 化学式: C₃₈H₆₅ClO₁₄Si
• 分子量: 809.464
• InChiKey: BGUINXGQVANSME-QSTRUFIHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  54.0
• 可旋转键数：
  9.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  182.58
• 氢给体数：
  2.0
• 氢受体数：
  14.0

反应信息

• 作为反应物：
  描述：

  、 氯乙酸 在 4-二甲氨基吡啶 、 4-(dimethylamino)pyridine hydrochloride 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以91%的产率得到[(1S,3R,4S,5S,6R,8R,10S,23R,24R,25S,26R)-5-acetyloxy-25-[tert-butyl(dimethyl)silyl]oxy-26-(2-chloroacetyl)oxy-24-hydroxy-6-methyl-17,20-dioxo-10-pentyl-2,7,9,21,27-pentaoxatricyclo[21.3.1.03,8]heptacosan-4-yl] 2-chloroacetate
  参考文献：
  名称：

  Total Synthesis of Ipomoeassin F

  摘要：

  The first total synthesis of ipomoeassin F was carried out using a convergent approach that relied upon the use of Schmidt glycosidation technology for the coupling of two suitably protected monosaccharide fragments. After two steps, ring-closing metathesis was used to form the macrocyclic ring, and seven more steps then furnished ipomoeassin F. In vitro inhibitory activity against a four-panel cell line showed low nanomolar inhibitory activity.

  DOI：

  10.1021/ol900086b
• 作为产物：
  描述：

  在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 反应 2.08h， 以64%的产率得到
  参考文献：
  名称：

  Total Synthesis of Ipomoeassin F

  摘要：

  The first total synthesis of ipomoeassin F was carried out using a convergent approach that relied upon the use of Schmidt glycosidation technology for the coupling of two suitably protected monosaccharide fragments. After two steps, ring-closing metathesis was used to form the macrocyclic ring, and seven more steps then furnished ipomoeassin F. In vitro inhibitory activity against a four-panel cell line showed low nanomolar inhibitory activity.

  DOI：

  10.1021/ol900086b