2-Bromo-6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 57781-23-4]

Identification

• Name: 2-Bromo-6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6R,8S,10S,11S,13S,14S)-2-Bromo-6,9-Difluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(6R,8S,10S,11S,13S,14S)-2-Bromo-6,9-Difluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(6R,8S,10S,11S,13S,14S)-2-Bromo-6,9-Difluoro-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₇BrF₂O₆
• Molecular Weight: 517.36
• CAS Registry Number: 57781-23-4
• EINECS: 260-956-1
• SMILES: [C@H]24[C@H]1[C@@](C(O)(CC1)C(=O)COC(=O)C)(C[C@H](O)C2(F)[C@@]3(C(=CC(=O)C(=C3)Br)[C@H](F)C4)C)C
• InChI: 1S/C23H27BrF2O6/c1-11(27)32-10-19(30)22(31)5-4-12-13-6-16(25)14-7-17(28)15(24)8-21(14,3)23(13,26)18(29)9-20(12,22)2/h7-8,12-13,16,18,29,31H,4-6,9-10H2,1-3H3/t12-,13-,16+,18-,20-,21-,22?,23?/m0/s1
• InChIKey: IZAIDEPSSMAJPO-YPQPBNTISA-N

Properties

• Density: 1.541g/cm³ (Cal.)
• Boiling point: 619.632°C at 760 mmHg (Cal.)
• Flash point: 328.542°C (Cal.)