2-Bromo-6beta-Fluoro-11alpha,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 60864-62-2]

Identification

• Name: 2-Bromo-6beta-Fluoro-11alpha,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6R,8S,9S,10S,11R,13S,14S,17R)-2-Bromo-6-Fluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(6R,8S,9S,10S,11R,13S,14S,17R)-2-Bromo-6-Fluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(6R,8S,9S,10S,11R,13S,14S,17R)-2-Bromo-6-Fluoro-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-7,8,9,11,12,14,15,16-Octahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₈BrFO₆
• Molecular Weight: 499.37
• CAS Registry Number: 60864-62-2
• EINECS: 262-495-1
• SMILES: [C@]12(C(=CC(C(=C1)Br)=O)[C@@H](C[C@@H]3[C@@H]2[C@@H](C[C@@]4([C@@](C(COC(=O)C)=O)(CC[C@@H]34)O)C)O)F)C
• InChI: 1S/C23H28BrFO6/c1-11(26)31-10-19(29)23(30)5-4-13-12-6-16(25)14-7-17(27)15(24)8-21(14,2)20(12)18(28)9-22(13,23)3/h7-8,12-13,16,18,20,28,30H,4-6,9-10H2,1-3H3/t12-,13-,16+,18+,20+,21-,22-,23-/m0/s1
• InChIKey: VLHFEVUZLWCVEM-RCYUAJJPSA-N

Properties

• Density: 1.508g/cm³ (Cal.)
• Boiling point: 623.135°C at 760 mmHg (Cal.)
• Flash point: 330.661°C (Cal.)