[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-azido-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate | 332345-18-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-azido-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate
• CAS: 332345-18-3
• 化学式: C₃₀H₄₇N₃O₉Si
• 分子量: 621.803
• InChiKey: VBLPBFWULSFRFX-QHGBLMJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.14
• 重原子数：
  43
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  143
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-azido-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate 在 palladium on activated charcoal 氢气 、 碳酸氢钠 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 水 、 乙酸乙酯 为溶剂， 生成 [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzamido-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] (2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-2-triethylsilyloxypropanoate
  参考文献：
  名称：

  Synthesis of the 2α-benzoylamido analogue of docetaxel

  摘要：

  The 2 alpha -benzoylamido analogue of docetaxel 2 was synthesized with a double inversion of the C-2 configuration as the key step, and its cytotoxic activity towards three tumor cell lines was tested. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02243-7
• 作为产物：
  描述：

  [(1S,2S,3R,4S,7R,9S,10S,12R)-4-acetyloxy-2-azido-1-hydroxy-10,14,17,17-tetramethyl-11,15-dioxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate 在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以90%的产率得到[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-azido-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-triethylsilyloxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-12-yl] acetate
  参考文献：
  名称：

  Synthesis of the 2α-benzoylamido analogue of docetaxel

  摘要：

  The 2 alpha -benzoylamido analogue of docetaxel 2 was synthesized with a double inversion of the C-2 configuration as the key step, and its cytotoxic activity towards three tumor cell lines was tested. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(00)02243-7