cholesteryl-9,10-dihydroxystearate | 150601-39-1

• 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: cholesteryl-9,10-dihydroxystearate
• 英文别名: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9,10-dihydroxyoctadecanoate
• CAS: 150601-39-1
• 化学式: C₄₅H₈₀O₄
• 分子量: 685.128
• InChiKey: YPJLFHQCEJXKNB-MLHFQGTJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.5
• 重原子数：
  49
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl 8-(2,2-dimethyl-5-octyl-1,3-dioxolan-4-yl)octanoate 在 溶剂黄146 作用下， 以 苯 为溶剂， 反应 4.0h， 以77%的产率得到cholesteryl-9,10-dihydroxystearate
  参考文献：
  名称：

  Synthesis of highly pure oxyphytosterols and (oxy)phytosterol esters

  摘要：

  Several efficient synthetic routes giving readily access to (oxy)-sitosterol esters and (oxy)cholesterol esters derived respectively from oleic acid and from 9,10-dihydroxystearic acid were developed for the first time. This approach allowed that sufficient amounts of the latter were available in order to carry out further biological studies. (c) 2008 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2008.04.010