apocynol B | 358721-34-3

• 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: apocynol B
• 英文别名: (4S)-4-hydroxy-4-[(E,3R)-3-hydroxybut-1-enyl]-3-(hydroxymethyl)-5,5-dimethylcyclohex-2-en-1-one
• CAS: 358721-34-3
• 化学式: C₁₃H₂₀O₄
• 分子量: 240.299
• InChiKey: UGAGXSNJVTWRDT-FDGVXQHPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  apocynoside II 在 β-glucosidase 作用下， 反应 24.0h， 以74%的产率得到apocynol B
  参考文献：
  名称：

  Medicinal Foodstuffs. XXIV. Chemical Constituents of the Processed Leaves of Apocynum venetum L.: Absolute Stereostructures of Apocynosides I and II.

  摘要：

  Two new ionone glucosides, named apocynosides I and II, were isolated from the roasted leaves of Apocynum venetum L. together with nine known compounds. The absolute stereostructures of apocynosides I and II were determined by chemical and physicochemical evidence, which included the application of a modified Mosher’s method and the circular dichroism helicity rule.

  DOI：

  10.1248/cpb.49.845

文献信息

• Medicinal Foodstuffs. XXIV. Chemical Constituents of the Processed Leaves of Apocynum venetum L.: Absolute Stereostructures of Apocynosides I and II.
  作者：Toshiyuki MURAKAMI、Akinobu KISHI、Hisashi MATSUDA、Masao HATTORI、Masayuki YOSHIKAWA

  DOI：10.1248/cpb.49.845

  日期：——

  Two new ionone glucosides, named apocynosides I and II, were isolated from the roasted leaves of Apocynum venetum L. together with nine known compounds. The absolute stereostructures of apocynosides I and II were determined by chemical and physicochemical evidence, which included the application of a modified Mosher’s method and the circular dichroism helicity rule.