(11beta,16beta)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl isonicotinate
[CAS# 94135-31-6]

Identification

• Name: (11beta,16beta)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl isonicotinate
• Synonyms: 9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-isonicotinate
• Molecular Formula: C₂₈H₃₂FNO₆
• Molecular Weight: 497.56
• CAS Registry Number: 94135-31-6
• EINECS: 302-900-1
• SMILES: O=C(OCC(=O)[C@@]3(O)[C@@H](C)C[C@H]2[C@@H]4CCC1=CC(=O)C=C[C@]1(C)[C@@]4(F)[C@@H](O)C[C@@]23C)c5ccncc5
• InChI: 1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20-,21-,22-,25-,26-,27-,28-/m0/s1
• InChIKey: BQTXJHAJMDGOFI-QEVRMTOFSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 675.964°C at 760 mmHg (Cal.)
• Flash point: 362.61°C (Cal.)