苍术素醇 | 61642-89-5

• 物质功能分类: 生物化工 - 提取物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 苍术素醇
• 中文别名: 苍术呋喃醇
• 英文名称: (2E,8E)-9-(furan-2-yl)nona-2,8-diene-4,6-diyn-1-ol
• 英文别名: 1-(2-furyl)-(1E,7E)-nonadiene-3,5-diyne-9-ol；atractylodinol；1-(2-furyl)-(1E,7E)-nonadiene-3,5-diyn-9-ol；(2E,8E)-9-(Furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol
• CAS: 61642-89-5
• 化学式: C₁₃H₁₀O₂
• 分子量: 198.221
• InChiKey: JPWHLNBWBPJJJN-PDTNFJSOSA-N

物化性质

• 沸点：
  386.3±42.0 °C(Predicted)
• 密度：
  1.166±0.06 g/cm3 (20 ºC 760 Torr)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  33.4
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2932190090

反应信息

• 作为反应物：
  描述：

  苯甲酸 、 苍术素醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.25h， 以82%的产率得到1-(2-furyl)-(1E,7E)-nonadiene-3,5-diyne-9-yl benzoate
  参考文献：
  名称：

  A new 9-nor-atractylodin from Atractylodes lancea and the antibacterial activity of the atractylodin derivatives

  摘要：

  A new compound, namely, 9-nor-atractylodin (1) and one known atractylodin (2) were isolated from the rhizomes of Atractylodes lancea. The structural modifications of atractylodin were carried out and a series of atractylodin derivatives (3-10) were obtained. The antibacterial activities of 1-10 were examined against Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Candida albicans. Compounds 4 and 8, which contained the alpha, beta-unsaturated carbonyl fragment, were found to be active against E. coli and S. aureus. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.fitote.2011.10.015
• 作为产物：
  描述：

  2-呋喃丙烯醛 在 正丁基锂 、 盐酸羟胺 、 乙胺 、 三苯基膦 、 copper(l) chloride 作用下， 以 四氢呋喃 、 甲醇 、 正己烷 、 二氯甲烷 、 水 为溶剂， 反应 6.34h， 生成 苍术素醇
  参考文献：
  名称：

  A direct synthesis of atractylodinol, a potent inhibitor of PRRSV, and its biological evaluation

  摘要：

  A direct synthesis of atractylodinol from 2-furylbutenyne and bromoacetylene 6 is reported. Both compounds 1 and 8 showed greater than 99% virus inhibition. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2016.10.014

文献信息

• A direct synthesis of atractylodinol, a potent inhibitor of PRRSV, and its biological evaluation
  作者：George A. Kraus、Pengfei Dong、Yang Qu、Alyssa Evans、Susan Carpenter

  DOI：10.1016/j.tetlet.2016.10.014

  日期：2016.11

  A direct synthesis of atractylodinol from 2-furylbutenyne and bromoacetylene 6 is reported. Both compounds 1 and 8 showed greater than 99% virus inhibition. (C) 2016 Elsevier Ltd. All rights reserved.
• A new 9-nor-atractylodin from Atractylodes lancea and the antibacterial activity of the atractylodin derivatives
  作者：Yanjun Chen、Yuxue Wu、Hexiang Wang、Kun Gao

  DOI：10.1016/j.fitote.2011.10.015

  日期：2012.1

  A new compound, namely, 9-nor-atractylodin (1) and one known atractylodin (2) were isolated from the rhizomes of Atractylodes lancea. The structural modifications of atractylodin were carried out and a series of atractylodin derivatives (3-10) were obtained. The antibacterial activities of 1-10 were examined against Escherichia coli, Staphylococcus aureus, Bacillus subtilis and Candida albicans. Compounds 4 and 8, which contained the alpha, beta-unsaturated carbonyl fragment, were found to be active against E. coli and S. aureus. (C) 2011 Elsevier B.V. All rights reserved.