9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17,21-Di(Valerate)
[CAS# 38196-44-0]

Identification

• Name: 9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 17,21-Di(Valerate)
• Synonyms: Pentanoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-[1-Oxo-2-(1-Oxopentoxy)Ethyl]-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Valeric Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-17-(2-Valeryloxyacetyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-17-(2-Pentanoyloxyethanoyl)-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Pentanoate
• Molecular Formula: C₃₂H₄₅FO₇
• Molecular Weight: 560.70
• CAS Registry Number: 38196-44-0
• EINECS: 253-820-8
• SMILES: [C@H]12[C@@]([C@](OC(=O)CCCC)([C@H](C1)C)C(=O)COC(=O)CCCC)(C[C@H](O)[C@@]3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C32H45FO7/c1-6-8-10-27(37)39-19-26(36)32(40-28(38)11-9-7-2)20(3)16-24-23-13-12-21-17-22(34)14-15-29(21,4)31(23,33)25(35)18-30(24,32)5/h14-15,17,20,23-25,35H,6-13,16,18-19H2,1-5H3/t20-,23-,24-,25-,29-,30-,31-,32-/m0/s1
• InChIKey: VPPBYLVCVQXCGD-LKKVRGJNSA-N

Properties

• Density: 1.198g/cm³ (Cal.)
• Boiling point: 642.292°C at 760 mmHg (Cal.)
• Flash point: 342.246°C (Cal.)