2-Bromo-9beta,11beta-Epoxy-6beta-Fluoro-17,21-Dihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 60864-69-9]

Identification

• Name: 2-Bromo-9beta,11beta-Epoxy-6beta-Fluoro-17,21-Dihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
• Molecular Formula: C₂₃H₂₆BrFO₆
• Molecular Weight: 497.36
• CAS Registry Number: 60864-69-9
• EINECS: 262-498-8
• SMILES: [C@@H]25C1(OC1C[C@]3([C@H]2CC[C@]3(O)C(=O)COC(=O)C)C)[C@@]4(C(=CC(=O)C(=C4)Br)[C@H](F)C5)C
• InChI: 1S/C23H26BrFO6/c1-11(26)30-10-18(28)22(29)5-4-12-13-6-16(25)14-7-17(27)15(24)8-21(14,3)23(13)19(31-23)9-20(12,22)2/h7-8,12-13,16,19,29H,4-6,9-10H2,1-3H3/t12-,13-,16+,19?,20-,21-,22-,23?/m0/s1
• InChIKey: RRHFZMJQCAJVNE-XRTWZWTHSA-N

Properties

• Density: 1.55g/cm³ (Cal.)
• Boiling point: 616.756°C at 760 mmHg (Cal.)
• Flash point: 326.802°C (Cal.)