(17alpha)-17-Hydroxyandrost-4-En-3-One
[CAS 4075-13-2]

Identification

• Name: (17alpha)-17-Hydroxyandrost-4-En-3-One
• Synonyms: (17-α)-17-Hydroxyandrost-4-en-3-one; (1S,11S,15S,2R,10R,14R)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-6-en-5-one; 17 α Testosterone
• Molecular Formula: C₁₉H₂₈O₂
• Molecular Weight: 288.42
• CAS Registry Number: 4075-13-2
• SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@H]2O)CCC4=CC(=O)CC[C@]34C
• InChI: 1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
• InChIKey: MUMGGOZAMZWBJJ-KZYORJDKSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 432.9±45.0°C at 760 mmHg (Cal.)
• Flash point: 184.7±21.3°C (Cal.)

References

• (1): Gushinder Kaur-Atwal, James C. Reynolds, Christopher Mussell, Elodie Champarnaud, Tom W. Knapman, Alison E. Ashcroft, Gavin O'Connor, Steven D. R. Christie and Colin S. Creaser. Determination of testosterone and epitestosterone glucuronides in urine by ultra performance liquid chromatography-ion mobility-mass spectrometry, Analyst, 2011, 136, 3911.