9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate 17-Valerate
[CAS# 5919-89-1]

Identification

• Name: 9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-Acetate 17-Valerate
• Synonyms: [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-Acetoxyacetyl)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Pentanoate; Pentanoic Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-Acetoxy-1-Oxoethyl)-9-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Valeric Acid [(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-Acetoxyacetyl)-9-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl] Ester
• Molecular Formula: C₂₉H₃₉FO₇
• Molecular Weight: 518.62
• CAS Registry Number: 5919-89-1
• EINECS: 227-644-7
• SMILES: [C@H]12[C@@]([C@](OC(=O)CCCC)([C@H](C1)C)C(=O)COC(=O)C)(C[C@H](O)[C@@]3(F)[C@H]2CCC4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C29H39FO7/c1-6-7-8-25(35)37-29(24(34)16-36-18(3)31)17(2)13-22-21-10-9-19-14-20(32)11-12-26(19,4)28(21,30)23(33)15-27(22,29)5/h11-12,14,17,21-23,33H,6-10,13,15-16H2,1-5H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1
• InChIKey: QSZKFXMOBKKROF-YCUXZELOSA-N

Properties

• Density: 1.235g/cm³ (Cal.)
• Boiling point: 613.017°C at 760 mmHg (Cal.)
• Flash point: 324.541°C (Cal.)