| 1011298-80-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1011298-80-8
• 化学式: C₅₅H₁₀₈O₈Si₃
• 分子量: 981.714
• InChiKey: OQGHWELIFYPCAD-HLOWEZMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.92
• 重原子数：
  66.0
• 可旋转键数：
  31.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  92.68
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  在 氢氟酸 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 12.0h， 生成 15-epi-27-hydroxybullatacin
  参考文献：
  名称：

  Total synthesis of 27-hydroxy-bullatacin and its C-15 epimer, and studies on their inhibitory effect on bovine heart mitochondrial complex I functions

  摘要：

  The total synthesis of 27-hydroxybullatacin and its C-15 epimer has been achieved using rhenium(VII) oxides-mediated and Co(modp)(2)-catalyzed oxidative cyclization (OC), diastereoselective alkynylation, Brown's enantioselective allylboration, and Grubbs' cross metathesis as the key reactions. The inhibitory effect of these compounds on the complex I function, as determined by using bovine submitochondrial particles, was in low nanomolar range. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.089
• 作为产物：
  描述：

  4,24,27-tri-O-(tert-butyldimethylsilyl)-12,13-dehydro-15-epi-27-hydroxybullatacin 在 sodium acetate 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 生成
  参考文献：
  名称：

  Total synthesis of 27-hydroxy-bullatacin and its C-15 epimer, and studies on their inhibitory effect on bovine heart mitochondrial complex I functions

  摘要：

  The total synthesis of 27-hydroxybullatacin and its C-15 epimer has been achieved using rhenium(VII) oxides-mediated and Co(modp)(2)-catalyzed oxidative cyclization (OC), diastereoselective alkynylation, Brown's enantioselective allylboration, and Grubbs' cross metathesis as the key reactions. The inhibitory effect of these compounds on the complex I function, as determined by using bovine submitochondrial particles, was in low nanomolar range. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.11.089