2-Bromo-6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
[CAS# 57781-14-3]

Identification

• Name: 2-Bromo-6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: [(6R,8S,9R,10S,11S,13S,14S,17R)-17-(2-Acetoxyacetyl)-2-Bromo-6,9-Difluoro-11-Hydroxy-10,13-Dimethyl-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,17R)-17-(2-Acetoxy-1-Oxoethyl)-2-Bromo-6,9-Difluoro-11-Hydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(6R,8S,9R,10S,11S,13S,14S,17R)-17-(2-Acetoxyacetyl)-2-Bromo-6,9-Difluoro-11-Hydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₅H₂₉BrF₂O₇
• Molecular Weight: 559.40
• CAS Registry Number: 57781-14-3
• EINECS: 260-951-4
• SMILES: [C@@]4([C@@]3([C@H]([C@H]2[C@]([C@@]1(C(=CC(=O)C(=C1)Br)[C@@H](C2)F)C)(F)[C@H](C3)O)CC4)C)(C(COC(C)=O)=O)OC(C)=O
• InChI: 1S/C25H29BrF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3/t14-,15-,18+,20-,22-,23-,24-,25-/m0/s1
• InChIKey: YCISZOVUHXIOFY-HKXOFBAYSA-N

Properties

• Density: 1.498g/cm³ (Cal.)
• Boiling point: 620.544°C at 760 mmHg (Cal.)
• Flash point: 329.094°C (Cal.)