Coagulin H | 216163-59-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Coagulin H
• 英文别名: (2R)-2-[(1S)-1-hydroxy-1-[(5R,6R,8R,9S,10R,13S,14R,15S,17S)-5,6,14,15,17-pentahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one
• CAS: 216163-59-6
• 化学式: C₂₈H₄₀O₉
• 分子量: 520.62
• InChiKey: ALRJHGQYWPZYNC-ALBMBVGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  165
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 Coagulin H 以 吡啶 为溶剂， 生成
  参考文献：
  名称：

  Five New Withanolides from Withania coagulans

  摘要：

  Phytochemical studies on the whole plant of Withania coagulans have resulted in the isolation of five new withanolides, namely coagulins H, I, J, K and L (1-5). Their structures have been established as (17S,20S,22R)-5 alpha,6 beta, 14 alpha, 15 alpha, 17,20-hexahydroxy-1-oxowitha-2,24-dienolide (1), (14R, 17S, 20S,22R)-5 alpha,6 beta,17-trihydroxy-14,20-epoxy-1-oxowitha-2,24-dienolide (2), (14R, 17R,20R,22R)-3 beta,27-dihydroxy-14,20-epoxy-1-oxowitha-5,24-dienolide (3), (14R, 17R,20R,22R)-14, 20-epoxy-3 beta-(O-beta-D-glucopyranosyl)-1-oxowitha-5,24-dienolide (4) and (14R, 17S,20S,22R)-14, 17,20-trihydroxy-3 beta-(O-beta-D-glucopyranosyl)-1-oxowitha-5,24-dienolide (5), respectively on the basis of spectroscopic techniques.

  DOI：

  10.3987/com-98-8208

文献信息

• Five New Withanolides from Withania coagulans
  作者：_ Atta-ur-Rahman、Muhammad Yousaf、Waseem Gul、Samina Qureshi、M. Iqbal Choudhary、Wolfgang Voelter、Antje Hoff、Fricke Jens、Aniqa Naz

  DOI：10.3987/com-98-8208

  日期：——

  Phytochemical studies on the whole plant of Withania coagulans have resulted in the isolation of five new withanolides, namely coagulins H, I, J, K and L (1-5). Their structures have been established as (17S,20S,22R)-5 alpha,6 beta, 14 alpha, 15 alpha, 17,20-hexahydroxy-1-oxowitha-2,24-dienolide (1), (14R, 17S, 20S,22R)-5 alpha,6 beta,17-trihydroxy-14,20-epoxy-1-oxowitha-2,24-dienolide (2), (14R, 17R,20R,22R)-3 beta,27-dihydroxy-14,20-epoxy-1-oxowitha-5,24-dienolide (3), (14R, 17R,20R,22R)-14, 20-epoxy-3 beta-(O-beta-D-glucopyranosyl)-1-oxowitha-5,24-dienolide (4) and (14R, 17S,20S,22R)-14, 17,20-trihydroxy-3 beta-(O-beta-D-glucopyranosyl)-1-oxowitha-5,24-dienolide (5), respectively on the basis of spectroscopic techniques.