3α-hydroxy-20β_F-methyl-5β-pregnanoic acid-(21)-methyl ester | 55541-97-4

• 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: 3α-hydroxy-20β_F-methyl-5β-pregnanoic acid-(21)-methyl ester
• 英文别名: 3α-Hydroxy-23.24-dinor-5β-cholansaeure-(22)-methylester；3α-Hydroxy-20β_F-methyl-5β-pregnansaeure-(21)-methylester；methyl (2S)-2-[(3R,5R,8R,9S,10S,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoate
• CAS: 55541-97-4
• 化学式: C₂₃H₃₈O₃
• 分子量: 362.553
• InChiKey: PWDNBUZSKOZXCR-BDJUZNGVSA-N

物化性质

• 熔点：
  162-163 °C
• 沸点：
  448.2±18.0 °C(Predicted)
• 密度：
  1.056±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.82
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3α-hydroxy-20β_F-methyl-5β-pregnanoic acid-(21)-methyl ester 在 氯仿 、 臭氧 作用下， 生成 孕烷醇酮
  参考文献：
  名称：

  The Preparation and Degradation of Lithocholic Acid

  摘要：

  DOI：

  10.1021/ja01860a036
• 作为产物：
  描述：

  石胆酸 在 chromium(VI) oxide 、 甲醇 、 sodium hydroxide 、 乙醚 、 溶剂黄146 作用下， 生成 3α-hydroxy-20β_F-methyl-5β-pregnanoic acid-(21)-methyl ester
  参考文献：
  名称：

  Farm-related Factors Influencing the Adoption of Short-rotation Willow Coppice Production Among Swedish Farmers

  摘要：

  The area of short-rotation willow coppice energy plantations on Swedish farmland increased quickly in the early 1990s because of subsidies for energy crop production, an increased CO2 tax on fossil fuel and an already existing biofuel market in the country. In this study farm-related determinants for the adoption of short-rotation willow coppice production among Swedish farmers are identified and estimated. A Tobit model is applied to cross-sectional data on Swedish farmers in 1995. The results show that the decision to plant willow and the areas planted depend positively on arable land area, forest land area, the area of other land types, leasing out of arable land and tractor ownership. Negative factors an pasture areal tenancy and animal production. Differences in willow growing between ownership types, age groups and geographical regions are also important. The policy implications of the results are discussed.

  DOI：

  10.1080/090647100750014385

文献信息

• A convenient new procedure for the oxidative cleavage of the bile acid and lanosterol side chains
  作者：M. Fetizon、F.J. Kakis、V. Ignatiadou-Ragoussis

  DOI：10.1016/s0040-4020(01)97373-9

  日期：1974.1

  A new method for the degradation of the side chain of lanosterol and bile acids is described. The cleavage was brought about by the action of molecular oxygen on basic solutions of the phenyl ketones (1, 7, and 15). Thus, the side chains were reduced by two C atoms, leading to the 23,24-bisnor series in appreciable yields. A method for converting the bisnor compounds to 20-ketosteroids is also described

  描述了一种用于降解羊毛甾醇和胆汁酸侧链的新方法。裂解物通过分子氧对苯基酮（的碱性溶液的作用带来的1，7，和15）。因此，侧链被两个C原子还原，从而以可观的收率得到23,24-bisnor系列。还描述了将比斯诺化合物转化为20-酮类固醇的方法。获得的结果表明，降解产物的性质取决于α-氢的酸度，反应介质的碱性强度和溶剂的性质。包括对该机制的简短讨论。
• A convenient synthesis of dinorbile acids:
  作者：Ashok K. Batta、Subhash C. Datta、G.Stephen Tint、David S. Alberts、David L. Earnest、Gerald Salen

  DOI：10.1016/s0039-128x(99)00064-1

  日期：1999.11

  dinorbile acids (23,24-dinor-5beta-cholan-22-oic acids, pregnane-20-carboxylic acids) in fair to good yields from norbile acid nitriles in one step by oxidative hydrolysis with oxygen in the presence of potassium-t-butoxide. The method results in stepwise overall removal of two carbon atoms in bile acid side chains in two steps. Dinorbile acids corresponding to several common bile acids have been prepared

  我们报告了一种简便的方法，可通过氧化水解与一步法从nor酸腈中以合理至良好的产率合成双壬酸（23,24-dinor-5beta-cholan-22-oic酸，pregnane-20-羧酸）叔丁醇钾存在下的氧气。该方法分两步逐步除去胆汁酸侧链中的两个碳原子。已经制备了对应于几种常见胆汁酸的双丁诺酸，并通过光谱法确认了它们的结构。这种简单的合成双降nor酸的方法可能有助于其代谢研究。
• Abbau der Lithocholsäure zu Ätio-lithocholsäure
  作者：J. Sawlewicz、T. Reichstein

  DOI：10.1002/hlca.193702001137

  日期：——