3β-acetyltormentic acid | 97094-23-0

• 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: 3β-acetyltormentic acid
• 英文别名: (2R,3R,19R)-3-acetyloxy-2,19-dihydroxyurs-12-en-28-carboxylic acid；3 beta-Acetyl tormentic acid；(1R,2R,4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10-acetyloxy-1,11-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• CAS: 97094-23-0
• 化学式: C₃₂H₅₀O₆
• 分子量: 530.745
• InChiKey: HWGMGZJITMCAFQ-BGJCYSRJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  38
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2Alpha,19Alpha-二羟基熊果酸 、 乙酸酐 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以56%的产率得到2α-acetyltormentic acid
  参考文献：
  名称：

  Tormentic acid derivatives: Synthesis and apoptotic activity

  摘要：

  Several derivatives of tormentic acid have been prepared and tested for their antitumor activity. The dichloroacetate 14 is an excellent antitumor active agent acting by an apoptose inducing pathway as demonstrated by OA/PI staining, DNA laddering experiments as well as by an annexin V binding assay. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.08.032

文献信息

• Tormentic acid derivatives: Synthesis and apoptotic activity
  作者：René Csuk、Bianka Siewert、Christian Dressel、Renate Schäfer

  DOI：10.1016/j.ejmech.2012.08.032

  日期：2012.10

  Several derivatives of tormentic acid have been prepared and tested for their antitumor activity. The dichloroacetate 14 is an excellent antitumor active agent acting by an apoptose inducing pathway as demonstrated by OA/PI staining, DNA laddering experiments as well as by an annexin V binding assay. (C) 2012 Elsevier Masson SAS. All rights reserved.