2-Bromo-6beta-Fluoro-21-Hydroxypregna-1,4,9(11),16-Tetraene-3,20-Dione 21-Acetate
[CAS# 60892-57-1]

Identification

• Name: 2-Bromo-6beta-Fluoro-21-Hydroxypregna-1,4,9(11),16-Tetraene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6R,8S,10R,13S,14S)-2-Bromo-6-Fluoro-10,13-Dimethyl-3-Oxo-6,7,8,12,14,15-Hexahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(6R,8S,10R,13S,14S)-2-Bromo-6-Fluoro-10,13-Dimethyl-3-Oxo-6,7,8,12,14,15-Hexahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(6R,8S,10R,13S,14S)-2-Bromo-6-Fluoro-3-Keto-10,13-Dimethyl-6,7,8,12,14,15-Hexahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₄BrFO₄
• Molecular Weight: 463.34
• CAS Registry Number: 60892-57-1
• EINECS: 262-516-4
• SMILES: [C@H]12[C@H]4C(=CC[C@@]1(C(=CC2)C(=O)COC(=O)C)C)[C@@]3(C(=CC(=O)C(=C3)Br)[C@H](F)C4)C
• InChI: 1S/C23H24BrFO4/c1-12(26)29-11-21(28)16-5-4-14-13-8-19(25)17-9-20(27)18(24)10-23(17,3)15(13)6-7-22(14,16)2/h5-6,9-10,13-14,19H,4,7-8,11H2,1-3H3/t13-,14-,19+,22-,23+/m0/s1
• InChIKey: XKZWOGXOACFWQZ-CKCVXRQJSA-N

Properties

• Density: 1.442g/cm³ (Cal.)
• Boiling point: 579.499°C at 760 mmHg (Cal.)
• Flash point: 304.271°C (Cal.)