2-Bromo-6beta,9-Difluoro-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 57781-19-8]

Identification

• Name: 2-Bromo-6beta,9-Difluoro-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6R,8S,10S,11S,13S,14S,16R)-2-Bromo-6,9-Difluoro-11,16,17-Trihydroxy-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,16R)-2-Bromo-6,9-Difluoro-11,16,17-Trihydroxy-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,16R)-2-Bromo-6,9-Difluoro-11,16,17-Trihydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₇BrF₂O₇
• Molecular Weight: 533.36
• CAS Registry Number: 57781-19-8
• EINECS: 260-955-6
• SMILES: [C@H]34[C@H]2C(F)([C@@]1(C(=CC(=O)C(=C1)Br)[C@H](F)C2)C)[C@@H](O)C[C@@]3(C(O)([C@H](O)C4)C(=O)COC(=O)C)C
• InChI: 1S/C23H27BrF2O7/c1-10(27)33-9-19(31)23(32)17(29)6-11-12-4-15(25)13-5-16(28)14(24)7-20(13,2)22(12,26)18(30)8-21(11,23)3/h5,7,11-12,15,17-18,29-30,32H,4,6,8-9H2,1-3H3/t11-,12-,15+,17+,18-,20-,21-,22?,23?/m0/s1
• InChIKey: JAWWELAUBJOEOF-XZJXIWRJSA-N

Properties

• Density: 1.598g/cm³ (Cal.)
• Boiling point: 638.631°C at 760 mmHg (Cal.)
• Flash point: 340.032°C (Cal.)