Hederageninmethylesteracetonid | 33818-30-3

• 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: Hederageninmethylesteracetonid
• CAS: 33818-30-3
• 化学式: C₃₄H₅₄O₄
• 分子量: 526.8
• InChiKey: WOAOOKZCGDFHBG-WYMQWHCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.09
• 重原子数：
  38.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  Hederageninmethylesteracetonid 在 甲醇 作用下， 反应 12.0h， 以482 mg的产率得到methyl hederageninate
  参考文献：
  名称：

  Chemical modifications of natural triterpenes—glycyrrhetinic and boswellic acids: evaluation of their biological activity

  摘要：

  Synthetic analogues of naturally occurring triterpenoids: glycyrrhetinic acid, arjunolic acid, and boswellic acids, by modification of A-ring with a cyano- and enone-functionality, have been reported. A novel method of synthesis of alpha-cyanoenones from isoxazoles is reported. Bioassays using primary mouse macrophages and tumor cell lines indicate potent anti-inflammatory and cycotoxic activities associated with cyano-enones of boswellic acid and glycyrrhetinic acid. (C) 2008 Elsevier Ltd. All Fights reserved.

  DOI：

  10.1016/j.tet.2008.10.035
• 作为产物：
  描述：

  在 偶氮二异丁腈 、 dibutyl(pentyl)stannane 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 Hederageninmethylesteracetonid
  参考文献：
  名称：

  Chemical modifications of natural triterpenes—glycyrrhetinic and boswellic acids: evaluation of their biological activity

  摘要：

  Synthetic analogues of naturally occurring triterpenoids: glycyrrhetinic acid, arjunolic acid, and boswellic acids, by modification of A-ring with a cyano- and enone-functionality, have been reported. A novel method of synthesis of alpha-cyanoenones from isoxazoles is reported. Bioassays using primary mouse macrophages and tumor cell lines indicate potent anti-inflammatory and cycotoxic activities associated with cyano-enones of boswellic acid and glycyrrhetinic acid. (C) 2008 Elsevier Ltd. All Fights reserved.

  DOI：

  10.1016/j.tet.2008.10.035

文献信息

• Hederagenic acid and other constituents of Viburnum erubescens
  作者：Santosh K. Agarwal、Ram P. Rastogi

  DOI：10.1016/s0031-9422(00)91382-7

  日期：1974.3