(2beta,17beta)-2,17-Dihydroxyandrost-4-En-3-One
[CAS# 10390-14-4]

Identification

• Name: (2beta,17beta)-2,17-Dihydroxyandrost-4-En-3-One
• Synonyms: 2β-Hydroxytestosterone; 4-Androstene-2β,17β-diol-3-one; Activin Receptor IIA human
• Molecular Formula: C₁₉H₂₈O₃
• Molecular Weight: 304.42
• CAS Registry Number: 10390-14-4
• SMILES: C[C@]43C[C@H](O)C(=O)\C=C4\CC[C@@H]1[C@@H]3CC[C@]2(C)[C@@H](O)CC[C@@H]12
• InChI: 1S/C19H28O3/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15(20)16(21)10-19(11,14)2/h9,12-14,16-17,21-22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18-,19-/m0/s1
• InChIKey: ZOIPFFUVGMVQGE-LXKHFVGGSA-N

Properties

• Density: 1.194g/cm³ (Cal.)
• Boiling point: 476.171°C at 760 mmHg (Cal.)
• Flash point: 255.89°C (Cal.)
• Refractive index: 1.578 (Cal.)

References

• (1): Kille et al.. Regio- and stereoselectivity of P450-catalysed hydroxylation of steroids controlled by laboratory evolution, Nature Chemistry, 2011