(1S,2S,4R,6S,8S,9R,11S,13S)-1-methyl-6-propan-2-yl-3,7,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.06,8.09,11.014,18]icos-14(18)-ene-5,17-dione | 883976-11-2

• 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: (1S,2S,4R,6S,8S,9R,11S,13S)-1-methyl-6-propan-2-yl-3,7,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.06,8.09,11.014,18]icos-14(18)-ene-5,17-dione
• CAS: 883976-11-2
• 化学式: C₂₀H₂₂O₆
• 分子量: 358.391
• InChiKey: VGCQPHMTWDVZSR-AROONZPNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  81
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1S,2S,4R,6S,8S,9R,11S,13S)-1-methyl-6-propan-2-yl-3,7,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.06,8.09,11.014,18]icos-14(18)-ene-5,17-dione 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 以64%的产率得到(1S,2S,4S,5R,6R,8R,9R,11S,13S)-5-hydroxy-1-methyl-6-propan-2-yl-3,7,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.06,8.09,11.014,18]icos-14(18)-en-17-one
  参考文献：
  名称：

  Semisynthesis of C-ring modified triptolide analogues and their cytotoxic activities

  摘要：

  Several C-ring modified analogues of a potent antileukemic diterpene, triptolide (1), were synthesized and their structure-activity relationships were studied. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.098
• 作为产物：
  描述：

  雷公藤甲素 在 phosphate buffer 、 戴斯-马丁氧化剂 、 二乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 (1S,2S,4R,6S,8S,9R,11S,13S)-1-methyl-6-propan-2-yl-3,7,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.06,8.09,11.014,18]icos-14(18)-ene-5,17-dione
  参考文献：
  名称：

  Semisynthesis of C-ring modified triptolide analogues and their cytotoxic activities

  摘要：

  Several C-ring modified analogues of a potent antileukemic diterpene, triptolide (1), were synthesized and their structure-activity relationships were studied. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.098

文献信息

• Semisynthesis of C-ring modified triptolide analogues and their cytotoxic activities
  作者：Yutaka Aoyagi、Yukio Hitotsuyanagi、Tomoyo Hasuda、Haruhiko Fukaya、Koichi Takeya、Ritsuo Aiyama、Takeshi Matsuzaki、Shusuke Hashimoto

  DOI：10.1016/j.bmcl.2005.12.098

  日期：2006.4

  Several C-ring modified analogues of a potent antileukemic diterpene, triptolide (1), were synthesized and their structure-activity relationships were studied. (C) 2006 Elsevier Ltd. All rights reserved.