(6alpha,9beta,11beta)-6-Fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate
[CAS# 72498-89-6]

Identification

• Name: (6alpha,9beta,11beta)-6-Fluoro-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl diacetate
• Synonyms: 9β,11β-epoxy-6α-fluoro-17,21-dihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
• Molecular Formula: C₂₅H₂₉FO₇
• Molecular Weight: 460.49
• CAS Registry Number: 72498-89-6
• EINECS: 276-705-4
• SMILES: CC(=O)OCC(=O)[C@@]3(OC(C)=O)CC[C@H]2[C@@H]5C[C@H](F)C1=CC(=O)C=C[C@]1(C)[C@@]54O[C@H]4C[C@@]23C
• InChI: 1S/C25H29FO7/c1-13(27)31-12-20(30)24(32-14(2)28)8-6-16-17-10-19(26)18-9-15(29)5-7-22(18,3)25(17)21(33-25)11-23(16,24)4/h5,7,9,16-17,19,21H,6,8,10-12H2,1-4H3/t16-,17-,19-,21-,22-,23-,24-,25+/m0/s1
• InChIKey: LNYMKQGFLVFMOI-KYAOAOQCSA-N

Properties

• Density: 1.332g/cm³ (Cal.)
• Boiling point: 576.01°C at 760 mmHg (Cal.)
• Flash point: 290.958°C (Cal.)