9beta,11beta-Epoxy-6beta-Fluoro-17,21-Dihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
[CAS# 60864-45-1]

Identification

• Name: 9beta,11beta-Epoxy-6beta-Fluoro-17,21-Dihydroxypregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Molecular Formula: C₂₅H₂₉FO₉
• Molecular Weight: 492.50
• CAS Registry Number: 60864-45-1
• EINECS: 262-485-7
• SMILES: [C@@H]25C1(OC1C[C@]3([C@H]2C(O)CC3(C(=O)C(O)CC(=O)O)CC(=O)O)C)[C@@]4(C(=CC(=O)C=C4)[C@H](F)C5)C
• InChI: 1S/C25H29FO9/c1-22-4-3-11(27)5-12(22)14(26)6-13-20-16(29)8-24(10-19(32)33,21(34)15(28)7-18(30)31)23(20,2)9-17-25(13,22)35-17/h3-5,13-17,20,28-29H,6-10H2,1-2H3,(H,30,31)(H,32,33)/t13-,14+,15?,16?,17?,20+,22-,23-,24?,25?/m0/s1
• InChIKey: KBGDBZWDTLTGJH-JWASWQNDSA-N

Properties

• Density: 1.521g/cm³ (Cal.)
• Boiling point: 759.358°C at 760 mmHg (Cal.)
• Flash point: 413.045°C (Cal.)