2-Bromo-6beta-Fluoro-17,21-Dihydroxy-16beta-Methylpregna-1,4,9(11)-Triene-3,20-Dione 17,21-Di(Acetate)
[CAS# 57781-54-1]

Identification

• Name: 2-Bromo-6beta-Fluoro-17,21-Dihydroxy-16beta-Methylpregna-1,4,9(11)-Triene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: [(6R,8S,10R,13S,14S,16S)-17-(2-Acetoxyacetyl)-2-Bromo-6-Fluoro-10,13,16-Trimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(6R,8S,10R,13S,14S,16S)-17-(2-Acetoxy-1-Oxoethyl)-2-Bromo-6-Fluoro-10,13,16-Trimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(6R,8S,10R,13S,14S,16S)-17-(2-Acetoxyacetyl)-2-Bromo-6-Fluoro-3-Keto-10,13,16-Trimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₆H₃₀BrFO₆
• Molecular Weight: 537.42
• CAS Registry Number: 57781-54-1
• EINECS: 260-958-2
• SMILES: [C@H]12[C@@](C(OC(=O)C)([C@H](C1)C)C(=O)COC(=O)C)(CC=C3[C@H]2C[C@@H](F)C4=CC(=O)C(=C[C@]34C)Br)C
• InChI: 1S/C26H30BrFO6/c1-13-8-18-16-9-21(28)19-10-22(31)20(27)11-24(19,4)17(16)6-7-25(18,5)26(13,34-15(3)30)23(32)12-33-14(2)29/h6,10-11,13,16,18,21H,7-9,12H2,1-5H3/t13-,16+,18-,21+,24+,25-,26?/m0/s1
• InChIKey: YUEHHSDUXVVLBM-FPVNRJEWSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 605.811°C at 760 mmHg (Cal.)
• Flash point: 320.183°C (Cal.)