2-Bromo-6beta-Fluoro-17,21-Dihydroxypregna-1,4,9(11)-Triene-3,20-Dione 21-Acetate
[CAS# 60864-66-6]

Identification

• Name: 2-Bromo-6beta-Fluoro-17,21-Dihydroxypregna-1,4,9(11)-Triene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6R,8S,10R,13S,14S,17R)-2-Bromo-6-Fluoro-17-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(6R,8S,10R,13S,14S,17R)-2-Bromo-6-Fluoro-17-Hydroxy-10,13-Dimethyl-3-Oxo-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(6R,8S,10R,13S,14S,17R)-2-Bromo-6-Fluoro-17-Hydroxy-3-Keto-10,13-Dimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₆BrFO₅
• Molecular Weight: 481.36
• CAS Registry Number: 60864-66-6
• EINECS: 262-496-7
• SMILES: [C@H]12[C@@]([C@](O)(CC1)C(=O)COC(=O)C)(CC=C3[C@H]2C[C@@H](F)C4=CC(=O)C(=C[C@]34C)Br)C
• InChI: 1S/C23H26BrFO5/c1-12(26)30-11-20(28)23(29)7-5-15-13-8-18(25)16-9-19(27)17(24)10-21(16,2)14(13)4-6-22(15,23)3/h4,9-10,13,15,18,29H,5-8,11H2,1-3H3/t13-,15+,18-,21-,22+,23+/m1/s1
• InChIKey: NXKRMOXYVGMCPV-ZPNJXGEYSA-N

Properties

• Density: 1.477g/cm³ (Cal.)
• Boiling point: 600.984°C at 760 mmHg (Cal.)
• Flash point: 317.264°C (Cal.)