methyl norcholate | 61844-72-2

• 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: methyl norcholate
• 英文别名: 3α,7α,12α-trihydroxy-24-nor-5β-cholanoic acid-(23)-methyl ester；3α,7α,12α-Trihydroxy-24-nor-5β-cholansaeure-(23)-methylester；methyl (3R)-3-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoate
• CAS: 61844-72-2
• 化学式: C₂₄H₄₀O₅
• 分子量: 408.579
• InChiKey: KLXPQIAGNBJJFR-OELDTZBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl norcholate 在 吡啶 、 chromium(VI) oxide 、 溶剂黄146 、 苯 作用下， 生成 23,24-dinorcholic acid
  参考文献：
  名称：

  Abbau derCholsäurezu 3,7,12-Trioxy-pregnan-20-on

  摘要：

  Der Abbau liefert aus 100克Cholsäuresowohlüberdie Dimethyl-wieüberdie二苯基-卡宾诺等 40克Nor-cholsäure，约克。10克Bis-nor-cholsäure和aus dieer ca. 1,5克三乙酰氧基-孕烷。（不干胶标签上的碱就好了，从0.5到0.8克的达芬·利弗恩就可以了。）（作者：déftesich noch etwas verbessern lassen und 0,5-0,8 g davon liefern。）

  DOI：

  10.1002/hlca.19370200102
• 作为产物：
  描述：

  胆酸甲酯 在 碳酸氢钠 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 生成 methyl norcholate
  参考文献：
  名称：

  Bile acids. LII. The synthesis of 24-nor-5α-cholic acid and its 3β-isomer

  摘要：

  To aid in the identification of trihydroxy acidic metabolite(s) derived from beta-sitosterol, 3alpha,7alpha,12alpha-trihydroxy-24-nor-5beta-cholan-23-oic acid was prepared and its methyl ester was treated with Raney nickel in boiling p-cymene to provide methyl 3-oxo-7alpha,12alpha-dihydroxy-24-nor-5alpha-cholanate, 3-oxo-7alpha,12alpha-dihydroxy-24-nor-5beta-cholante and 3-oxo-7alpha,12alpha-dihydroxy-24-norchol-4-enoate. The latter compound was synthesized from the 3-oxo-5beta-derivative with SeO2 to provide a product with identical properties. Catalytic reduction of either saturated 3-oxo-derivative provided the appropriate 3,7,12-triols isomeric at C-3. Results from gas liquid and partition chromatography, mass spectrometry, and otherr physical properties of the acids, their methyl esters and other derivatives are compatible with the assigned structures.

  DOI：

  10.1016/0039-128x(76)90007-6

文献信息

• Mass Spectral Fragmentation of 24,24-Diphenyl-23-ene Derivatives of Cholic Acid
  作者：Jerry Ray Dias

  DOI：10.1002/jps.2600710305

  日期：1982.3

  After electron impact in the mass spectrometer, 24,24-diphenyl-23-ene derivatives of cholic acid ejected the 17-sidechain as an ionized 1,1-diphenyl-butadiene derivative, and the 12 alpha-acetoxy group activated this loss. This contrasts markedly with the mass spectrometric fragmentation of typical sterols having unsaturated 17-sidechains that are also devoid of functionality on the C-ring.

  在质谱仪中受到电子撞击后，胆酸的24,24-24-二苯基-23-烯衍生物以离子化的1,1-二苯基-丁二烯衍生物的形式排出17-侧链，而12α-乙酰氧基激活了这种损失。这与具有不饱和17-侧链的典型固醇的质谱裂解明显不同，所述不饱和17-侧链在C环上也没有官能团。
• Hydroxy-ketones of pregnane series
  申请人：ROCHE ORGANON INC

  公开号：US02263785A1

  公开（公告）日：1941-11-25
• Enhancing Adherence in Clinical Exercise Trials
  作者：Heather A. O'Neal、Steven N. Blair

  DOI：10.1080/00336297.2001.10491747

  日期：2001.8

  Despite advancements in exercise science research and the development of techniques to promote adherence, exercise adherence is often viewed pessimistically by those in the field of public health and exercise science. It is true that exercise rates in the general population have not changed appreciably over the past two or three decades, and from this perspective, there has been little improvement in exercise adherence. However, recent clinical trials have demonstrated good adherence to both the exercise intervention and measurement protocols in controlled studies. Most methods recommended to improve adherence rates can be easily incorporated into standard research practices and require minimal time, effort, or expense. By considering adherence issues during study design and implementation, investigators can substantially enhance treatment and measurement adherence.
• SCHTEINGART, CLAUDIO D.;HOFMANN, ALAN F., J. LIPID RES., 29,(1988) N0, C. 1387-1395
  作者：SCHTEINGART, CLAUDIO D.、HOFMANN, ALAN F.

  DOI：——

  日期：——