16α,23α-epoxy-2β,3β,20β-trihydroxy-10α,23α-cucurbit-5,24-dien-11-one | 142546-17-6

• 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: 16α,23α-epoxy-2β,3β,20β-trihydroxy-10α,23α-cucurbit-5,24-dien-11-one
• 英文别名: (1S,2S,4R,6S,8S,9R,10R,13R,14R,16S,17R)-8,16,17-trihydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-19-en-12-one
• CAS: 142546-17-6
• 化学式: C₃₀H₄₆O₅
• 分子量: 486.692
• InChiKey: NALAELRWTLBCQF-JUOLRZCASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  35
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  16α,23α-epoxy-2β,3β,20β-trihydroxy-10α,23α-cucurbit-5,24-dien-11-one 、 丙酮 在 对甲苯磺酸 、 sodium sulfate 作用下， 以10 mg的产率得到
  参考文献：
  名称：

  Cucurbitacins from Wilbrandia ebracteata

  摘要：

  Three new cucurbitacins were isolated from the roots of Wilbrandia ebracteata and their structures established as 16-alpha,23-alpha-epoxy-2-beta,3-beta,20-beta-trihydroxy-10-alpha,23-beta-cucurbit-5,24-dien-11-one, 16-alpha,23-alpha-epoxy-2-beta,3-beta,20-beta-trihydroxy-10-alpha,23-alpha-cucurbit-5,24-dien-11-one and 2-beta,3-beta,16-alpha,20,25-pentahydroxy-10-alpha-cucurbit-5,23-dien-11-one, mainly by spectroscopy.

  DOI：

  10.1016/0031-9422(92)80284-l

文献信息

• Cucurbitacins from Wilbrandia ebracteata
  作者：Eloir Paulo Schenkel、Mareni Rocha Farias、Ralf Mayer、Eberhard Breitmaier、Gerhard Rücker

  DOI：10.1016/0031-9422(92)80284-l

  日期：1992.4

  Three new cucurbitacins were isolated from the roots of Wilbrandia ebracteata and their structures established as 16-alpha,23-alpha-epoxy-2-beta,3-beta,20-beta-trihydroxy-10-alpha,23-beta-cucurbit-5,24-dien-11-one, 16-alpha,23-alpha-epoxy-2-beta,3-beta,20-beta-trihydroxy-10-alpha,23-alpha-cucurbit-5,24-dien-11-one and 2-beta,3-beta,16-alpha,20,25-pentahydroxy-10-alpha-cucurbit-5,23-dien-11-one, mainly by spectroscopy.