9-Bromo-6beta-Fluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
[CAS# 60864-40-6]

Identification

• Name: 9-Bromo-6beta-Fluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: 4-[(6R,8S,10S,11S,13S,14S)-9-Bromo-17-(Carboxymethyl)-6-Fluoro-11,15-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Oxo-Butanoic Acid; 4-[(6R,8S,10S,11S,13S,14S)-9-Bromo-17-(Carboxymethyl)-6-Fluoro-11,15-Dihydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Keto-Butyric Acid; 9-Bromo-6Beta-Fluoro-11Beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Molecular Formula: C₂₅H₃₀BrFO₉
• Molecular Weight: 573.41
• CAS Registry Number: 60864-40-6
• EINECS: 262-479-4
• SMILES: [C@H]34[C@H]2C(Br)([C@@]1(C(=CC(=O)C=C1)[C@H](F)C2)C)[C@@H](O)C[C@@]3(C(CC4O)(C(=O)C(O)CC(=O)O)CC(=O)O)C
• InChI: 1S/C25H30BrFO9/c1-22-4-3-11(28)5-12(22)14(27)6-13-20-16(30)8-24(10-19(34)35,21(36)15(29)7-18(32)33)23(20,2)9-17(31)25(13,22)26/h3-5,13-17,20,29-31H,6-10H2,1-2H3,(H,32,33)(H,34,35)/t13-,14+,15?,16?,17-,20+,22-,23-,24?,25?/m0/s1
• InChIKey: YSJNVVDOPLDUBF-HIGXOGFFSA-N

Properties

• Density: 1.652g/cm³ (Cal.)
• Boiling point: 795.706°C at 760 mmHg (Cal.)
• Flash point: 435.027°C (Cal.)