2-Bromo-9,11beta-Dichloro-6beta-Fluoro-17,21-Dihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
[CAS# 57781-16-5]

Identification

• Name: 2-Bromo-9,11beta-Dichloro-6beta-Fluoro-17,21-Dihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: [(6R,8S,10S,11S,13S,14S)-17-(2-Acetoxyacetyl)-2-Bromo-9,11-Dichloro-6-Fluoro-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(6R,8S,10S,11S,13S,14S)-17-(2-Acetoxy-1-Oxoethyl)-2-Bromo-9,11-Dichloro-6-Fluoro-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(6R,8S,10S,11S,13S,14S)-17-(2-Acetoxyacetyl)-2-Bromo-9,11-Dichloro-6-Fluoro-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₅H₂₈BrCl₂FO₆
• Molecular Weight: 594.30
• CAS Registry Number: 57781-16-5
• EINECS: 260-954-0
• SMILES: [C@H]24[C@H]1[C@@](C(OC(=O)C)(CC1)C(=O)COC(=O)C)(C[C@H](Cl)C2(Cl)[C@@]3(C(=CC(=O)C(=C3)Br)[C@H](F)C4)C)C
• InChI: 1S/C25H28BrCl2FO6/c1-12(30)34-11-21(33)24(35-13(2)31)6-5-14-15-7-18(29)16-8-19(32)17(26)9-23(16,4)25(15,28)20(27)10-22(14,24)3/h8-9,14-15,18,20H,5-7,10-11H2,1-4H3/t14-,15-,18+,20-,22-,23-,24?,25?/m0/s1
• InChIKey: COPPKORMSHCPRR-MZXCRVNXSA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Boiling point: 639.366°C at 760 mmHg (Cal.)
• Flash point: 340.476°C (Cal.)