(22E,24R,25S)-24-methyl-5α-cholest-22-ene-3β,6α,8,15β,16β,26-hexaol | 1334583-70-8

• 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: (22E,24R,25S)-24-methyl-5α-cholest-22-ene-3β,6α,8,15β,16β,26-hexaol
• 英文别名: (22e,24r,25s)-24-Methyl-5alpha-cholest-22-ene-3beta,6alpha,8,15beta,16beta,26-hexaol；(3S,5S,6S,8S,9R,10S,13R,14S,15S,16R,17R)-17-[(E,2R,5R,6S)-7-hydroxy-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,6,8,15,16-pentol
• CAS: 1334583-70-8
• 化学式: C₂₈H₄₈O₆
• 分子量: 480.686
• InChiKey: AVQGJLHNQFQHQR-KXAUSBSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  121
• 氢给体数：
  6
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (22E,24R,25S)-24-methyl-5α-cholest-22-ene-3β,6α,8,15β,16β,26-hexaol 、 甲氧基-三氟甲基苯 在 吡啶 作用下， 反应 2.0h， 以0.7 mg的产率得到
  参考文献：
  名称：

  Three new polyhydroxysteroids from the tropical starfish Asteropsis carinifera

  摘要：

  Thirteen steroidal compounds including three new polyhydroxysteroids, (24R,25S)-24-methyl-5 alpha-cholestane-3 beta,6 alpha,8,15 beta,16 beta,26-hexaol, (22E,24R,25S)-24-methyl-5 alpha-cholest-22-ene-3 beta,6 alpha,8,15 beta,16 beta,26-hexaol, and (22E,24R,25S)-24-methyl-5 alpha-cholest-22-ene-3 beta,4 beta,6 alpha,8,15 beta,16 beta,26-heptaol, have been isolated along with ten previously known polyhydroxysteroids from the tropical starfish Asteropsis carinifera collected near the coast of Vietnam. The structures of the new compounds were elucidated by spectroscopic methods (mainly 2D NMR and ESI mass spectrometry).

  DOI：

  10.1134/s1068162010060129