2-Bromo-6beta-Fluoro-17,21-Dihydroxypregna-1,4,9(11)-Triene-3,20-Dione 17,21-Di(Acetate)
[CAS# 57808-78-3]

Identification

• Name: 2-Bromo-6beta-Fluoro-17,21-Dihydroxypregna-1,4,9(11)-Triene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: [(6R,8S,10R,13S,14S)-17-(2-Acetoxyacetyl)-2-Bromo-6-Fluoro-10,13-Dimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(6R,8S,10R,13S,14S)-17-(2-Acetoxy-1-Oxoethyl)-2-Bromo-6-Fluoro-10,13-Dimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(6R,8S,10R,13S,14S)-17-(2-Acetoxyacetyl)-2-Bromo-6-Fluoro-3-Keto-10,13-Dimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₅H₂₈BrFO₆
• Molecular Weight: 523.40
• CAS Registry Number: 57808-78-3
• EINECS: 260-969-2
• SMILES: [C@H]12[C@@](C(OC(=O)C)(CC1)C(=O)COC(=O)C)(CC=C3[C@H]2C[C@@H](F)C4=CC(=O)C(=C[C@]34C)Br)C
• InChI: 1S/C25H28BrFO6/c1-13(28)32-12-22(31)25(33-14(2)29)8-6-17-15-9-20(27)18-10-21(30)19(26)11-23(18,3)16(15)5-7-24(17,25)4/h5,10-11,15,17,20H,6-9,12H2,1-4H3/t15-,17+,20-,23-,24+,25?/m1/s1
• InChIKey: MCBUGZFLZRBBKP-KMWWQQNYSA-N

Properties

• Density: 1.44g/cm³ (Cal.)
• Boiling point: 602.245°C at 760 mmHg (Cal.)
• Flash point: 318.027°C (Cal.)