[26,27-2H6]3β-(etrt-butyldimethylsilyloxy)ergost-5-en-25-ol | 874895-81-5

• 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: [26,27-2H6]3β-(etrt-butyldimethylsilyloxy)ergost-5-en-25-ol
• CAS: 874895-81-5
• 化学式: C₃₄H₆₂O₂Si
• 分子量: 536.903
• InChiKey: CRTWDARYRBDZIB-KFTBZICISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.78
• 重原子数：
  37.0
• 可旋转键数：
  9.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  29.46
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [26,27-2H6]3β-(etrt-butyldimethylsilyloxy)ergost-5-en-25-ol 在 吡啶 、 三氯氧磷 作用下， 反应 3.0h， 生成 、
  参考文献：
  名称：

  Metabolic conversion of 24-methyl-Δ25-cholesterol to 24-methylcholesterol in higher plants

  摘要：

  Feeding of chemically synthesized [27-C-13]codisterol ([27-C-13]2), [27-C-13]24-epicodisterol ([27-C-13]3), [23,24-H-2(2)]codisterol ([23,24-H-2(2)]2), and [26,27-H-2(6)]24-methyldesmosterol ([26,27-H-2(6)]8) to Oryza sativa cell cultures, followed by MS and NMR analysis of the biosynthesized dihydrobrassicasterol (9)/campesterol (10), revealed that both (24R)- and (24s)-epimers of 24-methyl-Delta(25)-cholesterol (2/3) were converted to 9 and 10 via the common intermediate 24-methyldesmosterol (8). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.061
• 作为产物：
  描述：

  (R)-5-[(3S,8S,9S,10R,13R,14S,17R)-3-(tert-Butyl-dimethyl-silanyloxy)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-hexanoic acid methyl ester 、 (Methyl-d3)magnesium iodide 以 四氢呋喃 为溶剂， 反应 2.0h， 以62%的产率得到[26,27-2H6]3β-(etrt-butyldimethylsilyloxy)ergost-5-en-25-ol
  参考文献：
  名称：

  Metabolic conversion of 24-methyl-Δ25-cholesterol to 24-methylcholesterol in higher plants

  摘要：

  Feeding of chemically synthesized [27-C-13]codisterol ([27-C-13]2), [27-C-13]24-epicodisterol ([27-C-13]3), [23,24-H-2(2)]codisterol ([23,24-H-2(2)]2), and [26,27-H-2(6)]24-methyldesmosterol ([26,27-H-2(6)]8) to Oryza sativa cell cultures, followed by MS and NMR analysis of the biosynthesized dihydrobrassicasterol (9)/campesterol (10), revealed that both (24R)- and (24s)-epimers of 24-methyl-Delta(25)-cholesterol (2/3) were converted to 9 and 10 via the common intermediate 24-methyldesmosterol (8). (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.08.061