12α-acetoxy-3-oxo-choladien-(4,6)-oic acid-(24) | 2506-16-3

• 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: 12α-acetoxy-3-oxo-choladien-(4,6)-oic acid-(24)
• 英文别名: 12α-Acetoxy-3-oxo-choladien-(4,6)-saeure-(24)；Chola-4,6-dien-24-oic acid, 12I+/--hydroxy-3-oxo-, acetate；(4R)-4-[(8R,9S,10R,12S,13R,14S,17R)-12-acetyloxy-10,13-dimethyl-3-oxo-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 2506-16-3
• 化学式: C₂₆H₃₆O₅
• 分子量: 428.569
• InChiKey: BJPDBELWRJBTDU-XACQRRMESA-N

物化性质

• 熔点：
  211-213 °C
• 沸点：
  583.3±50.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.95
• 重原子数：
  31.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  80.67
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  12α-acetoxy-3-oxo-choladien-(4,6)-oic acid-(24) 在 氢氧化钾 、 aluminum isopropoxide 、 异丙醇 作用下， 生成 3β.12α-dihydroxy-choladien-(4.6)-oic acid-(24)
  参考文献：
  名称：

  Matsumoto, Journal of Biochemistry, 1944, vol. 36, p. 183,189

  摘要：

  DOI：
• 作为产物：
  描述：

  (5beta,7alpha,12alpha)-7,12-双(乙酰氧基)-3-酮基胆烷-24-酸 在 吡啶 、 氢溴酸 、 溴 、 溶剂黄146 作用下， 生成 12α-acetoxy-3-oxo-choladien-(4,6)-oic acid-(24)
  参考文献：
  名称：

  Matsumoto, Journal of Biochemistry, 1944, vol. 36, p. 183,189

  摘要：

  DOI：

文献信息

• Adenocarcinoma of the nonpigmented ciliary epithelium: report of two cases with immunohistochemical findings
  作者：Hiroko Terasaki、Tetsuro Nagasaka、Masashi Arai、Tomoko Harada、Yozo Miyake

  DOI：10.1007/s004170100353

  日期：2001.11

  Background: Acquired neoplasms arising from the nonpigmented ciliary epithelium (NPCE) are much less common than uveal melanocytic proliferations. We report two cases of acquired neoplasms arising from the NPCE with immunohistochemical findings. Methods: Case reports. Results and conclusions: Patient 1 was a 39-year-old man who presented with a pigmented mass behind the iris and secondary exudative retinal detachment. The eye also developed neovascular glaucoma. Patient 2 was a 44-year-old woman with a ciliary body mass but without symptoms. Both of these tumors were classified histologically as low-grade adenocarcinomas of the NPCE from specimens successfully removed by iridocyclectomy. Immunohistochemical findings confirmed the origin of the tumor cells. however. some changes in the immunoreactivity to cytokeratin AE1 and epithelial membrane antigen were found.