12 beta-Bromoacetoxy-4-Estrene-3,17-Dione
[CAS# 64890-82-0]

Identification

• Name: 12 beta-Bromoacetoxy-4-Estrene-3,17-Dione
• Synonyms: 2-Bromoacetic Acid [(8R,9S,10R,12R,13R,14S)-13-Methyl-3,17-Dioxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] Ester; 2-Bromoacetic Acid [(8R,9S,10R,12R,13R,14S)-3,17-Diketo-13-Methyl-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] Ester; [(8R,9S,10R,12R,13R,14S)-13-Methyl-3,17-Dioxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-12-Yl] 2-Bromoethanoate
• Molecular Formula: C₂₀H₂₅BrO₄
• Molecular Weight: 409.32
• CAS Registry Number: 64890-82-0
• SMILES: [C@H]13[C@H]4[C@]([C@H](OC(=O)CBr)C[C@@H]1[C@@H]2C(=CC(=O)CC2)CC3)(C(=O)CC4)C
• InChI: 1S/C20H25BrO4/c1-20-16(6-7-17(20)23)14-4-2-11-8-12(22)3-5-13(11)15(14)9-18(20)25-19(24)10-21/h8,13-16,18H,2-7,9-10H2,1H3/t13-,14+,15+,16-,18+,20-/m0/s1
• InChIKey: JRLXJPBMRVSJFG-NMXKSOGJSA-N

Properties

• Density: 1.416g/cm³ (Cal.)
• Boiling point: 528.099°C at 760 mmHg (Cal.)
• Flash point: 273.184°C (Cal.)