Δ⁴-7β-hydrocholestenone | 14169-76-7

• 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: Δ⁴-7β-hydrocholestenone
• 英文别名: (7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 14169-76-7
• 化学式: C₂₇H₄₄O₂
• 分子量: 400.645
• InChiKey: RHAPOGOMBGUDQA-BXLWXSRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  胆甾-5-烯-3,7二醇 在 4-氨基安替比林 、 buffer containing Triton-X 100 、 十六烷基三甲基溴化铵 、 cholesterol oxidase 作用下， 以 环己烷 、 正丁醇 为溶剂， 生成 7-羟基胆甾-4-烯-3-酮 、 Δ⁴-7β-hydrocholestenone
  参考文献：
  名称：

  Cholesterol conversion to δ4 -cholestenone by cholesterol oxidase in polyphasic systems : extension to the selective oxidation of 7β-hydroxycholesterol

  摘要：

  The preparative use of cholesterol oxidase has been extended to polyphasic systems. The enzyme is active in microemulsions with the organic phase composed of mixtures of cyclohexane and chloroform. The kinetic data for oxidation of 7.alpha.- and 7.beta.-hydroxycholesterol in microemulsion with the enzyme from Streptomyces are similar to those of cholesterol. The cholesterol oxidase is active in the two phase system aqueous buffer - butyl acetate and the preparative enzymic conversion of 7.beta.-hydroxycholesterol to .DELTA.4-7.beta.-hydroxycholestenone was performed in this medium. The enzymic conversion of cholesterol to .DELTA.4-cholestenone was also performed in two liquid-solid systems, in buffer with cholesterol adsorbed on silica gel and in organic medium with cholesterol oxidase and catalase entrapped in Chromosorb.

  DOI：

  10.1016/s0040-4020(01)85893-2

文献信息

• Cholesterol conversion to δ4 -cholestenone by cholesterol oxidase in polyphasic systems : extension to the selective oxidation of 7β-hydroxycholesterol
  作者：Kang Min Lee、Jean-François Biellmann

  DOI：10.1016/s0040-4020(01)85893-2

  日期：1988.1

  The preparative use of cholesterol oxidase has been extended to polyphasic systems. The enzyme is active in microemulsions with the organic phase composed of mixtures of cyclohexane and chloroform. The kinetic data for oxidation of 7.alpha.- and 7.beta.-hydroxycholesterol in microemulsion with the enzyme from Streptomyces are similar to those of cholesterol. The cholesterol oxidase is active in the two phase system aqueous buffer - butyl acetate and the preparative enzymic conversion of 7.beta.-hydroxycholesterol to .DELTA.4-7.beta.-hydroxycholestenone was performed in this medium. The enzymic conversion of cholesterol to .DELTA.4-cholestenone was also performed in two liquid-solid systems, in buffer with cholesterol adsorbed on silica gel and in organic medium with cholesterol oxidase and catalase entrapped in Chromosorb.