protoxylocarpin F | 1198400-15-5

• 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: protoxylocarpin F
• 英文别名: [(5R,7R,8R,9R,10R,13S,17S)-17-[(3S,5R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
• CAS: 1198400-15-5
• 化学式: C₃₂H₄₈O₆
• 分子量: 528.73
• InChiKey: GYXZUMLIUNJOEV-QSKPJDOHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 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：

  protoxylocarpin F 、 甲氧基-三氟甲基苯 在 吡啶 、 4-二甲氨基吡啶 作用下， 生成 [(1R)-1-[(2R,4S)-4-[(5R,7R,8R,9R,10R,13S,17S)-7-acetyloxy-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-yl]-2-hydroxy-2-methylpropyl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  Protoxylocarpins F−H, Protolimonoids from Seed Kernels of Xylocarpus granatum

  摘要：

  Three new protolimonoids, protoxylocarpins F-H (1-3), along with 11 known limonoids, were isolated from seed kernels of Xylocarpus granatum. Their structures were elucidated on the basis of extensive spectroscopic data analyses. All compounds isolated were evaluated for cytotoxic activity against five human tumor cell lines.

  DOI：

  10.1021/np900640u