Baccatin III derivative | 152448-66-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: Baccatin III derivative
• 英文别名: (1S,2S,4S,7R,9S,10S,12R,13S,16R)-2,4,7,12,13-pentahydroxy-5,9,17,17-tetramethyl-10-triethylsilyloxy-15-oxatetracyclo[7.6.1.12,6.013,16]heptadec-5-en-8-one
• CAS: 152448-66-3
• 化学式: C₂₆H₄₄O₈Si
• 分子量: 512.716
• InChiKey: SSIKWFLBHFFEAQ-ASOCXSSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.68
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  137
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  Baccatin III derivative 在 吡啶 、 chromium(VI) oxide 作用下， 反应 3.0h， 以90%的产率得到
  参考文献：
  名称：

  Rearrangement reactions of taxanes: structural modifications of 10-deacetylbaccatin III.

  摘要：

  10-Deacetylbaccatin III 2 is a taxane diterpenoid isolated from the plant genus Taxus, which has been used for the partial synthesis of the antitumor compounds taxol and taxotere(R). A number of structural modifications have been performed on 2 under acidic and basic conditions in order to obtain new synthetic precursors of taxol and taxotere(R) analogues.

  DOI：

  10.1016/s0040-4020(01)91208-6
• 作为产物：
  描述：

  4,10-bis(deacetyl)-2-debenzoyl-7-(triethylsily)baccatin III 在 溶剂黄146 作用下， 反应 24.0h， 以90%的产率得到Baccatin III derivative
  参考文献：
  名称：

  Rearrangement reactions of taxanes: structural modifications of 10-deacetylbaccatin III.

  摘要：

  10-Deacetylbaccatin III 2 is a taxane diterpenoid isolated from the plant genus Taxus, which has been used for the partial synthesis of the antitumor compounds taxol and taxotere(R). A number of structural modifications have been performed on 2 under acidic and basic conditions in order to obtain new synthetic precursors of taxol and taxotere(R) analogues.

  DOI：

  10.1016/s0040-4020(01)91208-6