2-Bromo-9,11beta-Dichloro-6beta-Fluoro-17,21-Dihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
[CAS# 57781-61-0]

Identification

• Name: 2-Bromo-9,11beta-Dichloro-6beta-Fluoro-17,21-Dihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: Acetic Acid [(6R,8S,9R,10S,11S,13S,14S,16S)-17-(2-Acetoxyacetyl)-2-Bromo-9,11-Dichloro-6-Fluoro-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(6R,8S,9R,10S,11S,13S,14S,16S)-17-(2-Acetoxyacetyl)-2-Bromo-9,11-Dichloro-6-Fluoro-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Acetate; Acetic Acid [(6R,8S,9R,10S,11S,13S,14S,16S)-17-(2-Acetoxy-1-Oxoethyl)-2-Bromo-9,11-Dichloro-6-Fluoro-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₆H₃₀BrCl₂FO₆
• Molecular Weight: 608.33
• CAS Registry Number: 57781-61-0
• EINECS: 260-959-8
• SMILES: [C@H]34[C@H]2[C@@](Cl)([C@@]1(C(=CC(=O)C(=C1)Br)[C@H](F)C2)C)[C@@H](Cl)C[C@@]3(C(OC(=O)C)([C@H](C4)C)C(=O)COC(=O)C)C
• InChI: 1S/C26H30BrCl2FO6/c1-12-6-15-16-7-19(30)17-8-20(33)18(27)9-23(17,4)25(16,29)21(28)10-24(15,5)26(12,36-14(3)32)22(34)11-35-13(2)31/h8-9,12,15-16,19,21H,6-7,10-11H2,1-5H3/t12-,15-,16-,19+,21-,23-,24-,25-,26?/m0/s1
• InChIKey: CAPJXOFUERKRLV-QGPYCADSSA-N

Properties

• Density: 1.482g/cm³ (Cal.)
• Boiling point: 642.671°C at 760 mmHg (Cal.)
• Flash point: 342.475°C (Cal.)