4α-methyl-5α-ergosta-7,24(28)-diene-3β,4β-diol | 138994-79-3

• 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: 4α-methyl-5α-ergosta-7,24(28)-diene-3β,4β-diol
• 英文别名: (3S,4R,5R,9R,10R,13R,14R,17R)-4,10,13-trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,4-diol
• CAS: 138994-79-3
• 化学式: C₂₉H₄₈O₂
• 分子量: 428.699
• InChiKey: KMJSWROJGBDPMI-QQHSWTODSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4α-methyl-5α-ergosta-7,24(28)-diene-3β,4β-diol 、 丙酮 在 copper(II) sulfate 作用下， 反应 4.0h， 生成 (3aS,5aR,5bR,7aR,8R,10aR,12aR,12bR)-8-((R)-1,5-Dimethyl-4-methylene-hexyl)-2,2,5a,7a,12b-pentamethyl-4,5,5a,5b,6,7,7a,8,9,10,10a,12,12a,12b-tetradecahydro-3aH-1,3-dioxa-dicyclopenta[a,i]phenathrene
  参考文献：
  名称：

  New oxygenated sterols from the weed Eichhornia crassipes solms

  摘要：

  Three novel sterols 1 - 3 with an uncommon hydroxyl function at C-4 have been isolated from the weed E. crassipes. The stereostructures of the compounds have been defined on the basis of spectroscopic data. Phytotoxicity test of the sterols revealed valuable biological activity against root seedling growth of radish.

  DOI：

  10.1016/s0040-4020(01)96166-6

文献信息

• New oxygenated sterols from the weed Eichhornia crassipes solms
  作者：Marina Della Greca、Pietro Monaco、Lucio Previtera

  DOI：10.1016/s0040-4020(01)96166-6

  日期：1991.8

  Three novel sterols 1 - 3 with an uncommon hydroxyl function at C-4 have been isolated from the weed E. crassipes. The stereostructures of the compounds have been defined on the basis of spectroscopic data. Phytotoxicity test of the sterols revealed valuable biological activity against root seedling growth of radish.