3.17-dihydroxy-13-methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene | 517-01-1

• 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: 3.17-dihydroxy-13-methyl-hexadecahydro-1H-cyclopenta[a]phenanthrene
• 英文别名: 3.17-Dihydroxy-13-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren；5alpha-Estrane-3alpha,17alpha-diol；13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene-3,17-diol
• CAS: 517-01-1；1434-84-0；1816-75-7；10002-95-6；10002-97-8；37795-40-7；65556-20-9；67392-82-9；75044-89-2；93602-55-2；94424-31-4；94424-32-5；95340-51-5；95340-52-6；98920-62-8；138812-56-3；151122-91-7
• 化学式: C₁₈H₃₀O₂
• 分子量: 278.435
• InChiKey: QNKATSBSLLYTMH-UHFFFAOYSA-N

物化性质

• 熔点：
  191-193 °C(Solv: acetone (67-64-1); hexane (110-54-3))
• 沸点：
  410.0±13.0 °C(Predicted)
• 密度：
  1.098±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• Analysis of large numbers of estrogens and other steroids and applications thereof
  申请人：Xu Xia

  公开号：US20070004045A1

  公开（公告）日：2007-01-04

  Mass-spectrometry based methods of analyzing estrogens and other steroids from biological samples are disclosed herein. Further disclosed are methods of detecting the presence of illegal steroids in a mammal. Methods of detecting a disease state or condition or elevated risk of a disease state or condition in a mammal are also disclosed. Also disclosed are kits for use in a method for detecting and/or quantifying one or more steroids in a sample by mass spectrometry.