rutin linolenate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: rutin linolenate
• 英文别名: [(2S,3R,4S,5R,6R)-6-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-2-methyloxan-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
• 化学式: C₄₅H₅₈O₁₇
• 分子量: 870.945
• InChiKey: UGCWDQWLUZNEOC-POODVOLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  62
• 可旋转键数：
  21
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  272
• 氢给体数：
  9
• 氢受体数：
  17

反应信息

• 作为产物：
  描述：

  Γ-十八碳三烯酸 、 芦丁 在 Novozym 435 、 immobilized lipase from C_. antarctica 作用下， 以 2-甲基-2-丁醇 、 丙酮 为溶剂， 反应 48.0h， 生成 rutin linolenate
  参考文献：
  名称：

  Ultrasound irradiation promoted lipase-catalyzed synthesis of flavonoid esters with unsaturated fatty acids

  摘要：

  This study was focused on the enzymatic esterification of rutin and naringin with different free unsaturated fatty acids to produce the corresponding flavonoid esters catalyzed by Novozym 435 under ultrasound pretreatment. An ultrasonic frequency of 25 kHz, power of 200W for rutin and 150W for naringin and time of 1 h was determined to guarantee satisfactory degree of esterification and lipase activity. The influence of substrates concentration and molar ratio was investigated subsequently. The optimum production was achieved in component solvent of acetone and 2-methyl-2-butanol for rutin and pure 2-methyl-2-butanol for naringin at 50 degrees C with flavonoid concentration of 40 mM and flavonoid to fatty acid molar ratio of 1:4, resulting in a flavonoid esters conversion of above 83.2% in relative short reaction time (48-72 h). In optimum conditions, the overall esterification reaction time using the ultrasonic pretreatment process was 24h shorter than that of mechanical stirring process without damaging the lipase activity. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2013.05.028

文献信息

• Ultrasound irradiation promoted lipase-catalyzed synthesis of flavonoid esters with unsaturated fatty acids
  作者：Ming-Ming Zheng、Lian Wang、Feng-Hong Huang、Ping-Mei Guo、Fang Wei、Qian-Chun Deng、Chang Zheng、Chu-Yun Wan

  DOI：10.1016/j.molcatb.2013.05.028

  日期：2013.11

  This study was focused on the enzymatic esterification of rutin and naringin with different free unsaturated fatty acids to produce the corresponding flavonoid esters catalyzed by Novozym 435 under ultrasound pretreatment. An ultrasonic frequency of 25 kHz, power of 200W for rutin and 150W for naringin and time of 1 h was determined to guarantee satisfactory degree of esterification and lipase activity. The influence of substrates concentration and molar ratio was investigated subsequently. The optimum production was achieved in component solvent of acetone and 2-methyl-2-butanol for rutin and pure 2-methyl-2-butanol for naringin at 50 degrees C with flavonoid concentration of 40 mM and flavonoid to fatty acid molar ratio of 1:4, resulting in a flavonoid esters conversion of above 83.2% in relative short reaction time (48-72 h). In optimum conditions, the overall esterification reaction time using the ultrasonic pretreatment process was 24h shorter than that of mechanical stirring process without damaging the lipase activity. (C) 2013 Elsevier B.V. All rights reserved.