9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-(3,3-Dimethylbutyrate)
[CAS# 52668-06-1]

Identification

• Name: 9-Fluoro-11beta,17,21-Trihydroxy-16beta-Methylpregna-1,4-Diene-3,20-Dione 21-(3,3-Dimethylbutyrate)
• Synonyms: 3,3-Dimethylbutanoic Acid [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 3,3-Dimethylbutyric Acid [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester; [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 3,3-Dimethylbutanoate
• Molecular Formula: C₂₈H₃₉FO₆
• Molecular Weight: 490.61
• CAS Registry Number: 52668-06-1
• EINECS: 258-086-2
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)([C@H](C4)C)C(=O)COC(=O)CC(C)(C)C)C
• InChI: 1S/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1
• InChIKey: PQVDYPCHUGFHAR-XYWKZLDCSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 608.325°C at 760 mmHg (Cal.)
• Flash point: 321.704°C (Cal.)