6β-hydroxyaldosterone | 125284-56-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: 6β-hydroxyaldosterone
• 英文别名: (1R,2S,5S,6S,8R,14R,15S,16S)-8,18-dihydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-11-one
• CAS: 125284-56-2
• 化学式: C₂₁H₂₈O₆
• 分子量: 376.45
• InChiKey: XQXJAHNULHZAGB-ZHHFCHBFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  27
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6β-hydroxyaldosterone 生成 6α-Hydroxyaldosterone
  参考文献：
  名称：

  KIRK, DAVID N.;MILLER, BARRY W.;LATIF, SYED A.;MORRIS, DAVID J.;COOLEY, G+

  摘要：

  DOI：
• 作为产物：
  描述：

  11beta,18-环氧-18,21-二羟基孕甾-4-烯-3,20-二酮 反应 24.0h， 生成 6β-hydroxyaldosterone
  参考文献：
  名称：

  Synthesis of 6β-hydroxyaldosterone by A6 (toad kidney) cells in culture

  摘要：

  Incubation of aldosterone with confluent layers of A6 (toad kidney) cells leads to its hydroxylation at the 6-beta-position. 6-beta-Hydroxyaldosterone is the major metabolite when the incubation is carried out at pH 6.8, whereas the product comprises 6-beta-hydroxy-17-isoaldosterone accompanied by some 6-beta-hydroxyapoaldosterone at pH 7.4. All products were identified by high-field H-1 nuclear magnetic resonance spectroscopy. Control experiments indicated that the side-chain isomerization to form the 17-iso and apo derivatives occurs after the cytochrome P 450-dependent synthesis of 6-beta-hydroxyaldosterone.

  DOI：

  10.1016/0039-128x(90)90084-o

文献信息

• Kirk, David N.; Miller, Barry W.; Cooley, George, Journal of Chemical Research, Miniprint, 1989, # 6, p. 1274 - 1289
  作者：Kirk, David N.、Miller, Barry W.、Cooley, George、Latif, Syed A.、Morris, David J.

  DOI：——

  日期：——