17-beta-Hydroxy-5alpha-Androst-1-En-3-One Acetate
[CAS# 64-82-4]

Identification

• Name: 17-beta-Hydroxy-5alpha-Androst-1-En-3-One Acetate
• Synonyms: Acetic Acid [(5S,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(5S,8R,9S,10R,13S,14S,17S)-3-Keto-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(5S,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-4,5,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₁H₃₀O₃
• Molecular Weight: 330.47
• CAS Registry Number: 64-82-4
• EINECS: 200-595-9
• SMILES: [C@H]12CC(C=C[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CC[C@@H]([C@@]3(C)CC4)OC(=O)C)C)=O
• InChI: 1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,14,16-19H,4-7,9,11-12H2,1-3H3/t14-,16-,17-,18-,19-,20-,21-/m0/s1
• InChIKey: NKZLRJOJLCHNQR-NGFSFWIMSA-N

Properties

• Density: 1.117g/cm³ (Cal.)
• Boiling point: 430.741°C at 760 mmHg (Cal.)
• Flash point: 186.155°C (Cal.)