2-Bromo-6beta-Fluoro-11alpha,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 60864-74-6]

Identification

• Name: 2-Bromo-6beta-Fluoro-11alpha,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-Bromo-6-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-Bromo-6-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(6R,8S,9S,10S,11R,13S,14S,16S,17R)-2-Bromo-6-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₄H₃₀BrFO₆
• Molecular Weight: 513.40
• CAS Registry Number: 60864-74-6
• EINECS: 262-502-8
• SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)C(=C1)Br)[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/c1-11-5-14-13-6-17(26)15-7-18(28)16(25)8-22(15,3)21(13)19(29)9-23(14,4)24(11,31)20(30)10-32-12(2)27/h7-8,11,13-14,17,19,21,29,31H,5-6,9-10H2,1-4H3/t11-,13-,14-,17+,19+,21+,22-,23-,24-/m0/s1
• InChIKey: JGHVFJUALVMUCA-SMOOVBRJSA-N

Properties

• Density: 1.476g/cm³ (Cal.)
• Boiling point: 624.894°C at 760 mmHg (Cal.)
• Flash point: 331.724°C (Cal.)