17b-Hydroxy-5a-Androstane-3,6-Dione
[CAS# 899-39-8]

Identification

• Name: 17b-Hydroxy-5a-Androstane-3,6-Dione
• Synonyms: (5S,8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-Dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3,6-Quinone; C15416; Zinc04104753
• Molecular Formula: C₁₉H₂₈O₃
• Molecular Weight: 304.43
• CAS Registry Number: 899-39-8
• SMILES: [C@H]4([C@]3(C)[C@H]([C@@H]2CC([C@H]1CC(=O)CC[C@@]1([C@H]2CC3)C)=O)CC4)O
• InChI: 1S/C19H28O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h12-15,17,22H,3-10H2,1-2H3/t12-,13-,14-,15+,17-,18+,19-/m0/s1
• InChIKey: SOQWQZZNPGBTQR-YDOJUKJESA-N

Properties

• Density: 1.153g/cm³ (Cal.)
• Boiling point: 453.413°C at 760 mmHg (Cal.)
• Flash point: 242.142°C (Cal.)