9-Bromo-6alpha-Fluoro-11beta,17,21-Trihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 1997-73-5]

Identification

• Name: 9-Bromo-6alpha-Fluoro-11beta,17,21-Trihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-Bromo-6-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-Bromo-6-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-Bromo-6-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₄H₃₀BrFO₆
• Molecular Weight: 513.40
• CAS Registry Number: 1997-73-5
• EINECS: 217-879-3
• SMILES: [C@H]34[C@H]2[C@@](Br)([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C[C@@]3([C@](O)([C@@H](C4)C)C(=O)COC(=O)C)C
• InChI: 1S/C24H30BrFO6/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-21(17,3)23(16,25)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1
• InChIKey: QAEVJNCCRJTPEE-OSNGSNEUSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 620.682°C at 760 mmHg (Cal.)
• Flash point: 329.177°C (Cal.)