3,11-dioxo-23,24-dinor-5β-cholan-22-oic acid methyl ester | 3852-41-3

• 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: 3,11-dioxo-23,24-dinor-5β-cholan-22-oic acid methyl ester
• 英文别名: 3,11-Dioxo-23,24-dinor-5β-cholan-22-saeure-methylester；3.11-Dioxo-20β_F-pregnansaeure-(21)-methylester；3,11-Dioxo-23,24-dinor-5β-cholansaeure-(22)-methylester
• CAS: 3852-41-3
• 化学式: C₂₃H₃₄O₄
• 分子量: 374.521
• InChiKey: XNNPALMQITYXFS-XLSXXSOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  60.44
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  3,11-dioxo-23,24-dinor-5β-cholan-22-oic acid methyl ester 在 溶剂黄146 、 铂 作用下， 生成 11β-hydroxy-3β-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：

  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 、 锌 、 苯 作用下， 330.0 ℃ 、1.47 kPa 条件下， 生成 3,11-dioxo-23,24-dinor-5β-cholan-22-oic acid 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

文献信息

• Synthesis of 11-Keto Steroids
  作者：E. M. Chamberlin、W. V. Ruyle、A. E. Erickson、J. M. Chemerda、L. M. Aliminosa、R. L. Erickson、G. E. Sita、M. Tishler

  DOI：10.1021/ja01110a052

  日期：1953.7
• GB736817
  申请人：——

  公开号：——

  公开（公告）日：——
• Microbiological Transformations of Steroids. XI. The Transformation of 3-Ketobisnor-4-cholen-22-al to 11α,22-Dihydroxybisnor-4-cholen-3-one and 6β,11α,22-Trihydroxybisnor-4-cholen-3-one by Rhizopus¹
  作者：P. D. Meister、D. H. Peterson、S. H. Eppstein、H. C. Murray、L. M. Reineke、A. Weintraub、H. M. Leigh Osborn

  DOI：10.1021/ja01651a022

  日期：1954.11