5,7α-epoxy-6α,20α-dihydroxy-1-oxowitha-2,24-dienolide | 1008410-18-1

• 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: 5,7α-epoxy-6α,20α-dihydroxy-1-oxowitha-2,24-dienolide
• 英文别名: (1R,6R,7S,10S,11S,14S,15S,16S,18S)-11-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-1-hydroxyethyl]-18-hydroxy-6,10-dimethyl-17-oxapentacyclo[14.1.1.01,6.07,15.010,14]octadec-3-en-5-one
• CAS: 1008410-18-1
• 化学式: C₂₈H₃₈O₆
• 分子量: 470.606
• InChiKey: YGOTVOWHKMPFMG-SFQAJKIESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5,7α-epoxy-6α,20α-dihydroxy-1-oxowitha-2,24-dienolide 在 溶剂黄146 作用下， 反应 12.0h， 以2 mg的产率得到睡茄素A
  参考文献：
  名称：

  Withanolides from Withania somnifera roots

  摘要：

  Two new and seven known withanolides along with beta-sitosterol, stigniasterol, beta-sitosterol glucoside, stigniasterol glucoside, alpha + beta glucose were isolated from the roots of Withania somnifera. Among the known compounds, Viscosa lactone B, stigmasterol, stigmasterol glucoside and alpha + beta glucose are being reported from the roots of W. somnifera for the first time. One of the new compounds contained the rare 16 beta-acetoxy-17(20)-ene the other contained unusual 6 alpha-hydroxy-5,7 alpha-epoxy functional groups in the withasteroid skeleton. The structures were elucidated by spectroscopic methods and chemical transformations. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2007.10.024