6alpha-Fluoro-11beta,21-Dihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Pivalate
[CAS# 29205-06-9]

Identification

• Classification: Analytical chemistry >> Standard >> Pharmacopoeia standards and magazine standards
• Name: 6alpha-Fluoro-11beta,21-Dihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 21-Pivalate
• Synonyms: [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 2,2-Dimethylpropanoate; 2,2-Dimethylpropanoic Acid [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-Fluoro-11-Hydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 2,2-Dimethylpropionic Acid [2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-Fluoro-11-Hydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₇H₃₇FO₅
• Molecular Weight: 460.58
• CAS Registry Number: 29205-06-9
• EINECS: 249-504-4
• SMILES: [C@H]23[C@@H]([C@@]1(C(=CC(=O)C=C1)[C@@H](F)C2)C)[C@@H](O)C[C@]4([C@H]3C[C@H]([C@@H]4C(=O)COC(=O)C(C)(C)C)C)C
• InChI: 1S/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1
• InChIKey: XZBJVIQXJHGUBE-HZMVJJPJSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 572.312°C at 760 mmHg (Cal.)
• Flash point: 299.924°C (Cal.)