(11beta)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl salicylate
[CAS# 68497-93-8]

Identification

• Name: (11beta)-9-Fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl salicylate
• Synonyms: 9-fluoro-11β,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-salicylate
• Molecular Formula: C₂₈H₃₁FO₇
• Molecular Weight: 498.54
• CAS Registry Number: 68497-93-8
• EINECS: 270-922-8
• SMILES: Oc1ccccc1C(=O)OCC(=O)[C@@]5(O)CC[C@H]4[C@@H]3CCC2=CC(=O)C=C[C@]2(C)[C@@]3(F)[C@@H](O)C[C@@]45C
• InChI: 1S/C28H31FO7/c1-25-11-9-17(30)13-16(25)7-8-20-19-10-12-27(35,26(19,2)14-22(32)28(20,25)29)23(33)15-36-24(34)18-5-3-4-6-21(18)31/h3-6,9,11,13,19-20,22,31-32,35H,7-8,10,12,14-15H2,1-2H3/t19-,20-,22-,25-,26-,27-,28-/m0/s1
• InChIKey: FCSHKGYSUMKFNH-ZNLJJCQFSA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 678.571°C at 760 mmHg (Cal.)
• Flash point: 364.187°C (Cal.)