6beta,9-Difluoro-11beta,17,21-Trihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
[CAS# 60864-47-3]

Identification

• Name: 6beta,9-Difluoro-11beta,17,21-Trihydroxy-16alpha-Methylpregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Synonyms: 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(Carboxymethyl)-6,9-Difluoro-11,15-Dihydroxy-10,13,16-Trimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Oxo-Butanoic Acid; 4-[(6R,8S,10S,11S,13S,14S,16S)-17-(Carboxymethyl)-6,9-Difluoro-11,15-Dihydroxy-3-Keto-10,13,16-Trimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Keto-Butyric Acid; 6Beta,9-Difluoro-11Beta,17,21-Trihydroxy-16Alpha-Methylpregna-1,4-Diene-3,20-Dione 17,21-Di(Acetate)
• Molecular Formula: C₂₆H₃₂F₂O₉
• Molecular Weight: 526.53
• CAS Registry Number: 60864-47-3
• EINECS: 262-487-8
• SMILES: [C@H]12[C@@](C([C@@H](C1O)C)(C(=O)C(O)CC(=O)O)CC(=O)O)(C[C@H](O)C3(F)[C@H]2C[C@@H](F)C4=CC(=O)C=C[C@]34C)C
• InChI: 1S/C26H32F2O9/c1-11-21(36)20-14-7-15(27)13-6-12(29)4-5-23(13,2)26(14,28)17(31)9-24(20,3)25(11,10-19(34)35)22(37)16(30)8-18(32)33/h4-6,11,14-17,20-21,30-31,36H,7-10H2,1-3H3,(H,32,33)(H,34,35)/t11-,14+,15-,16?,17+,20-,21?,23+,24+,25?,26?/m1/s1
• InChIKey: XNMKWMQRAACBAD-VFEOTRHJSA-N

Properties

• Density: 1.481g/cm³ (Cal.)
• Boiling point: 754.984°C at 760 mmHg (Cal.)
• Flash point: 410.4°C (Cal.)