11-oxogedunin | 26790-09-0

• 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: 11-oxogedunin
• 英文别名: [(1S,2R,4S,7S,8S,11R,12S,17R,19R)-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5,10,15-trioxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadec-13-en-19-yl] acetate
• CAS: 26790-09-0
• 化学式: C₂₈H₃₂O₈
• 分子量: 496.557
• InChiKey: SPAMVCDESKNMPV-XBYNXRCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  36
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  11β-hydroxygedunin 在 四丙基高钌酸铵 、 4 A molecular sieve 、 N-甲基吗啉氧化物 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 生成 11-oxogedunin
  参考文献：
  名称：

  Hydroxylated Gedunin Derivatives from Cedrela sinensis

  摘要：

  Four new limonoids, 11 alpha-hydroxygedunin ( 1), 11 beta-hydroxygedunin (2), 7-deacetoxy-7 alpha,11 alpha-dihydroxygedunin ( 3), and 7-deacetoxy-7 alpha, 11 beta-dihydroxygedunin (4), were isolated from the cortex of Cedrela sinensis, together with three known compounds, gedunin ( 5), 7-deacetoxy-7 alpha-hydroxygedunin ( 6), and 11-oxogedunin ( 7). The structures of 1-4 were determined by a combination of 2D NMR experiments and chemical methods and by X-ray crystallography of 1 and 2.

  DOI：

  10.1021/np068021f

文献信息

• Hydroxylated Gedunin Derivatives from <i>Cedrela </i><i>sinensis</i>
  作者：Kumiko Mitsui、Hiroaki Saito、Ryota Yamamura、Haruhiko Fukaya、Yukio Hitotsuyanagi、Koichi Takeya

  DOI：10.1021/np068021f

  日期：2006.9.1

  Four new limonoids, 11 alpha-hydroxygedunin ( 1), 11 beta-hydroxygedunin (2), 7-deacetoxy-7 alpha,11 alpha-dihydroxygedunin ( 3), and 7-deacetoxy-7 alpha, 11 beta-dihydroxygedunin (4), were isolated from the cortex of Cedrela sinensis, together with three known compounds, gedunin ( 5), 7-deacetoxy-7 alpha-hydroxygedunin ( 6), and 11-oxogedunin ( 7). The structures of 1-4 were determined by a combination of 2D NMR experiments and chemical methods and by X-ray crystallography of 1 and 2.