3beta-Acetyloxy-19-Hydroxyandrost-5-En-17-One
[CAS# 2857-42-3]

Identification

• Name: 3beta-Acetyloxy-19-Hydroxyandrost-5-En-17-One
• Synonyms: Acetic Acid [(3S,8R,9S,10S,13S,14S)-10-(Hydroxymethyl)-13-Methyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Acetic Acid [(3S,8R,9S,10S,13S,14S)-17-Keto-13-Methyl-10-Methylol-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,8R,9S,10S,13S,14S)-10-(Hydroxymethyl)-13-Methyl-17-Oxo-1,2,3,4,7,8,9,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₂₁H₃₀O₄
• Molecular Weight: 346.47
• CAS Registry Number: 2857-42-3
• SMILES: [C@@]14([C@@H](CCC1=O)[C@H]3[C@@H]([C@]2(CC[C@H](OC(C)=O)CC2=CC3)CO)CC4)C
• InChI: 1S/C21H30O4/c1-13(23)25-15-7-10-21(12-22)14(11-15)3-4-16-17-5-6-19(24)20(17,2)9-8-18(16)21/h3,15-18,22H,4-12H2,1-2H3/t15-,16-,17-,18-,20-,21+/m0/s1
• InChIKey: JDEYENFMPLMNPT-JPRZGNOKSA-N

Properties

• Density: 1.185g/cm³ (Cal.)
• Boiling point: 482.361°C at 760 mmHg (Cal.)
• Flash point: 165.17°C (Cal.)