6beta,9-Difluoro-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione 16,21-Di(Acetate)
[CAS# 60864-49-5]

Identification

• Name: 6beta,9-Difluoro-11beta,16alpha,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione 16,21-Di(Acetate)
• Synonyms: 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(Carboxymethyl)-6,9-Difluoro-11,16,17-Trihydroxy-10,13-Dimethyl-3-Oxo-7,8,11,12,14,15-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Oxo-Butanoic Acid; 4-[(6R,8S,10S,11S,13S,14S,16S,17S)-16-(Carboxymethyl)-6,9-Difluoro-11,16,17-Trihydroxy-3-Keto-10,13-Dimethyl-7,8,11,12,14,15-Hexahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-3-Hydroxy-4-Keto-Butyric Acid; 6Beta,9-Difluoro-11Beta,16Alpha,17,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione 16,21-Di(Acetate)
• Molecular Formula: C₂₅H₃₀F₂O₁₀
• Molecular Weight: 528.50
• CAS Registry Number: 60864-49-5
• EINECS: 262-489-9
• SMILES: [C@H]12[C@@]([C@](O)([C@](O)(C1)CC(=O)O)C(=O)C(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/C25H30F2O10/c1-21-4-3-11(28)5-13(21)15(26)6-12-14-8-23(36,10-19(33)34)25(37,20(35)16(29)7-18(31)32)22(14,2)9-17(30)24(12,21)27/h3-5,12,14-17,29-30,36-37H,6-10H2,1-2H3,(H,31,32)(H,33,34)/t12-,14-,15+,16?,17-,21-,22-,23-,24?,25-/m0/s1
• InChIKey: HADBRQWKADXKGS-FPCKIHMMSA-N

Properties

• Density: 1.574g/cm³ (Cal.)
• Boiling point: 771.659°C at 760 mmHg (Cal.)
• Flash point: 420.484°C (Cal.)