5α-Hydroxy-3β-acetoxy-allopregnandion-(6,20) | 2723-04-8

• 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: 5α-Hydroxy-3β-acetoxy-allopregnandion-(6,20)
• 英文别名: [(3S,5R,8S,9S,10R,13S,14S,17S)-17-acetyl-5-hydroxy-10,13-dimethyl-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
• CAS: 2723-04-8
• 化学式: C₂₃H₃₄O₅
• 分子量: 390.52
• InChiKey: ONKSGFUNPKNOCF-AGASROOCSA-N

物化性质

• 熔点：
  226.5-227.0 °C(Solvent: Methanol; Acetic acid)
• 沸点：
  503.0±50.0 °C(predicted)
• 密度：
  1.18±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5α-Hydroxy-3β-acetoxy-allopregnandion-(6,20) 生成 5-hydroxy-3β-acetoxy-5α-pregnanedione-(6.20)-dioxime
  参考文献：
  名称：

  INVESTIGATIONS ON STEROIDS. III. PARTIAL OXIDATION OF 3,5,6-TRIOLS AND OXIDATION WITH PERMANGANATE OF 5,6-UNSATURATED STEROIDS¹

  摘要：

  DOI：

  10.1021/jo01211a007
• 作为产物：
  描述：

  孕烯醇酮醋酸酯 生成 5α-Hydroxy-3β-acetoxy-allopregnandion-(6,20)
  参考文献：
  名称：

  Knof,L., Justus Liebigs Annalen der Chemie, 1962, vol. 657, p. 171 - 178

  摘要：

  DOI：

文献信息

• Galagovsky, L. R.; Burton, G.; Gros, E. G., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 7, p. 806 - 810
  作者：Galagovsky, L. R.、Burton, G.、Gros, E. G.

  DOI：——

  日期：——
• One-pot, high yield synthesis of α-ketols from Δ5-steroids
  作者：Jorge A.R. Salvador、Vânia M. Moreira、James R. Hanson、Rui A. Carvalho

  DOI：10.1016/j.steroids.2005.11.002

  日期：2006.3

  a-Hydroxy ketones (alpha-ketols) are present in many compounds with biological activity. Several methods are available for the preparation of alpha-ketols but only a few of them describe the synthesis of steroid alpha-ketols from olefins. In this work, a new system consisting of KMnO4/Fe(ClO4)(3)center dot nH(2)O was used in order to achieve the direct conversion of Delta(5)-steroids to their corresponding alpha-ketols, in high yields. Consideration of the probable reaction mechanism is provided. 2D homo- and heteronuclear correlation NMR spectroscopic techniques were used to assign H-1 and C-13 resonances of some synthesized compounds. This method has potential for the preparation of alpha-hydroxy ketones of biological interest. (c) 2005 Elsevier Inc. All rights reserved.
• Forcellese, Maria Luigia; Martucci, Immacolata; Calvitti, Settimia, Gazzetta Chimica Italiana, 1983, vol. 113, # 11/12, p. 737 - 740
  作者：Forcellese, Maria Luigia、Martucci, Immacolata、Calvitti, Settimia

  DOI：——

  日期：——