| 1262663-01-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1262663-01-3
• 化学式: C₃₀H₃₂O₁₀
• 分子量: 552.578
• InChiKey: DVDCMYYGEDIOFB-VCWQJAMUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.03
• 重原子数：
  40.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  131.5
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 、 cerium(III) chloride 作用下， 以 甲醇 为溶剂， 反应 0.25h， 以32%的产率得到[(1S,5R,8R,9R,10S,11S,13R,16S)-9,11,16-triacetyloxy-5-hydroxy-6,10-dimethyl-14-oxatetracyclo[8.6.0.03,7.013,16]hexadeca-2,6-dien-8-yl] benzoate
  参考文献：
  名称：

  Fragmentations of 13-oxo-taxyunnansin A and their application to preparation of abeo-paclitaxel and abeo-docetaxel analogues

  摘要：

  Two interesting unprecedented fragmentations of 13-oxo-taxyunnansin A (3), initiated by treatment with (t)BuOK and Red-Al, respectively, have been discovered, optimized and successfully applied to the synthesis of novel abeo-paclitaxel and abeo-docetaxel derivatives. Eight new derivatives of abeo-paclitaxel and abeo-docetaxel possessing the structurally simplified 11 (15 -> 1)-abeo-taxane skeleton with an oxetane ring and pi bond conjugate system were accordingly prepared for the further evaluation of anticancer activities. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.008
• 作为产物：
  描述：

  13-oxo-taxayunnansin A 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以77%的产率得到
  参考文献：
  名称：

  Fragmentations of 13-oxo-taxyunnansin A and their application to preparation of abeo-paclitaxel and abeo-docetaxel analogues

  摘要：

  Two interesting unprecedented fragmentations of 13-oxo-taxyunnansin A (3), initiated by treatment with (t)BuOK and Red-Al, respectively, have been discovered, optimized and successfully applied to the synthesis of novel abeo-paclitaxel and abeo-docetaxel derivatives. Eight new derivatives of abeo-paclitaxel and abeo-docetaxel possessing the structurally simplified 11 (15 -> 1)-abeo-taxane skeleton with an oxetane ring and pi bond conjugate system were accordingly prepared for the further evaluation of anticancer activities. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.11.008