17beta-Hydroxy-1alpha,17-Dimethyl-5alpha-Androstan-3-One
[CAS# 2881-21-2]

Identification

• Name: 17beta-Hydroxy-1alpha,17-Dimethyl-5alpha-Androstan-3-One
• Synonyms: 1Alpha,17Alpha-Dimethyl-5-Androstan-17-Ol-3-One; 5-Androstan-17-Ol-3-One, 1Alpha,17Alpha-Dimethyl-; Demalon
• Molecular Formula: C₂₁H₃₄O₂
• Molecular Weight: 318.50
• CAS Registry Number: 2881-21-2
• SMILES: [C@@H]1(CC(=O)C[C@H]4[C@@]1(C)[C@H]3CC[C@@]2([C@](O)(C)CC[C@H]2[C@@H]3CC4)C)C
• InChI: 1S/C21H34O2/c1-13-11-15(22)12-14-5-6-16-17-8-10-20(3,23)19(17,2)9-7-18(16)21(13,14)4/h13-14,16-18,23H,5-12H2,1-4H3/t13-,14-,16-,17-,18-,19-,20-,21-/m0/s1
• InChIKey: XGTSZQUZTZMJGX-DQVGDZKQSA-N

Properties

• Density: 1.041g/cm³ (Cal.)
• Boiling point: 423.756°C at 760 mmHg (Cal.)
• Flash point: 180.833°C (Cal.)