11-beta-Hydroxyandrosterone
[CAS# 57-61-4]

Identification

• Name: 11-beta-Hydroxyandrosterone
• Synonyms: 5.Alpha.-Androstan-17-One, 3.Alpha.,11.Alpha.-Dihydroxy-; Androstan-17-One, 3,11-Dihydroxy-, (3.Alpha.,5.Alpha.,11.Alpha.)-; Androstan-17-One, 3,11-Dihydroxy-, (3.Beta.,5.Alpha.,11.Alpha.)-
• Molecular Formula: C₁₉H₃₀O₃
• Molecular Weight: 306.44
• CAS Registry Number: 57-61-4
• SMILES: CC34C2C(C1C(C(=O)CC1)(C)CC2O)CCC3CC(O)CC4
• InChI: 1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3
• InChIKey: PIXFHVWJOVNKQK-UHFFFAOYSA-N

Properties

• Density: 1.158g/cm³ (Cal.)
• Boiling point: 454.743°C at 760 mmHg (Cal.)
• Flash point: 242.945°C (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493