aspergillusol A

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: aspergillusol A
• 英文别名: JBIR-25；[(2S,3R)-2,3-dihydroxy-4-[2-hydroxyimino-3-(4-hydroxyphenyl)propanoyl]oxybutyl] 2-hydroxyimino-3-(4-hydroxyphenyl)propanoate
• 化学式: C₂₂H₂₄N₂O₁₀
• 分子量: 476.44
• InChiKey: BXRQJOBHKCDAJW-BGYRXZFFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  34
• 可旋转键数：
  13
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  199
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  aspergillusol A 、 3-戊酮 以 乙醇 为溶剂， 反应 18.0h， 以76%的产率得到2,2-diethyl-4-(4-hydroxybenzyl)-5-oxo-2,5-dihydrooxazole 3-oxide
  参考文献：
  名称：

  Nitrone formation in phosphate buffer and aqueous solutions: novel chemistry inspired by a natural product

  摘要：

  Nitrones are formed from the reaction of aspergillusol A (1) and a ketone/aldehyde in phosphate buffer and aqueous solutions with pH ranges of 6.8-8.6, resembling physiological conditions. The reaction of 1 with 1-substituted cyclohexanones gave the (1'S*,2'R*)-isomer, diastereoselectively. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.02.046

文献信息

• Nitrone formation in phosphate buffer and aqueous solutions: novel chemistry inspired by a natural product
  作者：Acharavadee Pansanit、Nattha Ingavat、Thammarat Aree、Chulabhorn Mahidol、Somsak Ruchirawat、Prasat Kittakoop

  DOI：10.1016/j.tetlet.2012.02.046

  日期：2012.4

  Nitrones are formed from the reaction of aspergillusol A (1) and a ketone/aldehyde in phosphate buffer and aqueous solutions with pH ranges of 6.8-8.6, resembling physiological conditions. The reaction of 1 with 1-substituted cyclohexanones gave the (1'S*,2'R*)-isomer, diastereoselectively. (C) 2012 Elsevier Ltd. All rights reserved.