9-Fluoro-17,21-Dihydroxy-Pregn-4-Ene-3,11,20-Trione
[CAS# 79-60-7]

Identification

• Name: 9-Fluoro-17,21-Dihydroxy-Pregn-4-Ene-3,11,20-Trione
• Synonyms: (8S,10S,13S,14S,17R)-9-Fluoro-17-Hydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione; (8S,10S,13S,14S,17R)-9-Fluoro-17-Glycoloyl-17-Hydroxy-10,13-Dimethyl-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Quinone; (8S,10S,13S,14S,17R)-9-Fluoro-17-Hydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-2,6,7,8,12,14,15,16-Octahydro-1H-Cyclopenta[A]Phenanthrene-3,11-Dione
• Molecular Formula: C₂₁H₂₇FO₅
• Molecular Weight: 378.44
• CAS Registry Number: 79-60-7
• SMILES: [C@H]34[C@H]2C(F)([C@@]1(C(=CC(=O)CC1)CC2)C)C(=O)C[C@@]3([C@](O)(CC4)C(=O)CO)C
• InChI: 1S/C21H27FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22/h9,14-15,23,27H,3-8,10-11H2,1-2H3/t14-,15-,18-,19-,20-,21?/m0/s1
• InChIKey: BHDHELFREODRJK-LKNKEJRYSA-N

Properties

• Density: 1.328g/cm³ (Cal.)
• Boiling point: 557.209°C at 760 mmHg (Cal.)
• Flash point: 290.79°C (Cal.)