2-Bromo-6beta-Fluoro-16alpha,17,21-Trihydroxypregna-1,4,9(11)-Triene-3,20-Dione 21-Acetate
[CAS# 60864-73-5]

Identification

• Name: 2-Bromo-6beta-Fluoro-16alpha,17,21-Trihydroxypregna-1,4,9(11)-Triene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6R,8S,10R,13S,14S,16R,17S)-2-Bromo-6-Fluoro-16,17-Dihydroxy-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,16R,17S)-2-Bromo-6-Fluoro-16,17-Dihydroxy-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,16R,17S)-2-Bromo-6-Fluoro-16,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,12,14,15,16-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₆BrFO₆
• Molecular Weight: 497.36
• CAS Registry Number: 60864-73-5
• EINECS: 262-501-2
• SMILES: [C@H]12[C@@]([C@](O)([C@H](O)C1)C(=O)COC(=O)C)(CC=C3[C@H]2C[C@@H](F)C4=CC(=O)C(=C[C@]34C)Br)C
• InChI: 1S/C23H26BrFO6/c1-11(26)31-10-20(29)23(30)19(28)8-14-12-6-17(25)15-7-18(27)16(24)9-21(15,2)13(12)4-5-22(14,23)3/h4,7,9,12,14,17,19,28,30H,5-6,8,10H2,1-3H3/t12-,14+,17-,19-,21-,22+,23+/m1/s1
• InChIKey: XPLXQTZSCTVTKW-GTFPCPOTSA-N

Properties

• Density: 1.537g/cm³ (Cal.)
• Boiling point: 620.334°C at 760 mmHg (Cal.)
• Flash point: 328.966°C (Cal.)