3α,12α-diacetoxy-23,24-dinor-5β-cholan-22-oic acid methyl ester | 60354-44-1

• 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,12α-diacetoxy-23,24-dinor-5β-cholan-22-oic acid methyl ester
• 英文别名: 3α,12α-Diacetoxy-23,24-dinor-5β-cholan-22-saeure-methylester；3α.12α-Diacetoxy-20β_F-methyl-5β-pregnansaeure-(21)-methylester；3α,12α-Diacetoxy-23,24-dinor-5β-cholansaeure-(22)-methylester；(20S)-3alpha,12alpha-Bis(acetyloxy)-5beta-pregnane-20-carboxylic acid methyl ester；methyl (2S)-2-[(3R,5R,8R,9S,10S,12S,13S,14S,17R)-3,12-diacetyloxy-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: 60354-44-1
• 化学式: C₂₇H₄₂O₆
• 分子量: 462.627
• InChiKey: NGLATYRFOKIITK-YSHOQPPWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3α,12α-diacetoxy-23,24-dinor-5β-cholan-22-oic acid methyl ester 在 吡啶 、 chromium(VI) oxide 、 盐酸 、 氢氧化钾 、 水 、 sodium acetate 、 溶剂黄146 、 丙酮 、 铂 、 锌 、 苯 作用下， 330.0 ℃ 、1.47 kPa 条件下， 生成 11β-hydroxy-3α-acetoxy-23.24-dinor-5β-cholanoic acid-(22)-methyl ester
  参考文献：
  名称：

  Double ileoileal intussusception caused by a giant polypoid mass of heterotopic pancreas in a child

  摘要：

  Heterotopic pancreatic tissue has been found in several abdominal and intrathoracic locations. In the ileum, it is a rare, usually asymptomatic, incidental finding.Conclusion A unique case of a recurrent ileoileal intussusception in an 11-year-old girl is presented caused by a giant polypoid mass composed of ectopic pancreatic tissue that remained undetected during several diagnostic tests during two previous admissions and laparoscopic abdominal exploration.

  DOI：

  10.1007/pl00008355
• 作为产物：
  描述：

  acetic acid (3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-acetoxy-10,13-dimethyl-17-((R)-1-methylallyl)-hexadecahydrocyclopenta[a]phenanthren-12-yl ester 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 3α,12α-diacetoxy-23,24-dinor-5β-cholan-22-oic acid methyl ester
  参考文献：
  名称：

  THE INTRODUCTION OF DOUBLE BONDS INTO STEROIDS BY THE USE OF THE HOFMANN DEGRADATION¹

  摘要：

  DOI：

  10.1021/jo01156a017

文献信息

• Introduction of the 3-Keto-▵⁴-conjugated System in the Desoxycholic Acid Series
  作者：Byron Riegel、A. Vern McIntosh

  DOI：10.1021/ja01235a011

  日期：1944.7
• �ber Gallens�uren und verwandte Stoffe. 31. Mitteilung. Lactone aus 3?, 12?-Dioxy-bisnor-cholans�ure. Versuch zur Abkl�rung der r�umlichen Lage der Seitenkette in nat�rlichen Sterinen und Steroiden
  作者：M. Sorkin、T. Reichstein

  DOI：10.1002/hlca.194402701209

  日期：——
• THE INTRODUCTION OF DOUBLE BONDS INTO STEROIDS BY THE USE OF THE HOFMANN DEGRADATION¹
  作者：H. B. MACPHILLAMY、C. R. SCHOLZ

  DOI：10.1021/jo01156a017

  日期：1949.7
• Double ileoileal intussusception caused by a giant polypoid mass of heterotopic pancreas in a child
  作者：Stefan Scholz、Steffan Loff、Hartmut Wirth

  DOI：10.1007/pl00008355

  日期：2000.10.4

  Heterotopic pancreatic tissue has been found in several abdominal and intrathoracic locations. In the ileum, it is a rare, usually asymptomatic, incidental finding.Conclusion A unique case of a recurrent ileoileal intussusception in an 11-year-old girl is presented caused by a giant polypoid mass composed of ectopic pancreatic tissue that remained undetected during several diagnostic tests during two previous admissions and laparoscopic abdominal exploration.