28-tert-butyldimethylsiloxy-3-deoxobetulin | 501124-74-9

• 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: 28-tert-butyldimethylsiloxy-3-deoxobetulin
• CAS: 501124-74-9
• 化学式: C₃₆H₆₄OSi
• 分子量: 540.989
• InChiKey: SKTZKLNYGHIUKL-BFQKSEDYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.06
• 重原子数：
  38.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  28-tert-butyldimethylsiloxy-3-deoxobetulin 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 40.0h， 以63%的产率得到jasminol
  参考文献：
  名称：

  Synthesis of betulin derivatives and their protective effects against the cytotoxicity of cadmium

  摘要：

  The protecting effect of betulin against cadmium toxicity was investigated using 11 kinds of analogues. It was elucidated by analyzing the analogue activities that both hydroxyl groups on C-3 and C-28 and the isopropenyl group on C-19 played important roles for expressing efficient activities. In addition, the cytotoxicity of betulin was also reduced by being functionalized using the above functional group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00172-4
• 作为产物：
  描述：

  28-tert-butyldimethylsiloxy-3-oxobetulin 在 sodium sulfate 、 对甲苯磺酰肼 、 sodium cyanoborohydride 、 对甲苯磺酸 作用下， 以 乙醇 、 环丁砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 25.0h， 以40%的产率得到28-tert-butyldimethylsiloxy-3-deoxobetulin
  参考文献：
  名称：

  Synthesis of betulin derivatives and their protective effects against the cytotoxicity of cadmium

  摘要：

  The protecting effect of betulin against cadmium toxicity was investigated using 11 kinds of analogues. It was elucidated by analyzing the analogue activities that both hydroxyl groups on C-3 and C-28 and the isopropenyl group on C-19 played important roles for expressing efficient activities. In addition, the cytotoxicity of betulin was also reduced by being functionalized using the above functional group. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00172-4