6alpha,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
[CAS# 52-70-0]

Identification

• Name: 6alpha,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-Acetate
• Synonyms: [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-Difluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Acetate; Acetic Acid [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-Difluoro-11,17-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; Acetic Acid [2-[(6S,8S,9R,10S,11S,13S,14S,17R)-6,9-Difluoro-11,17-Dihydroxy-3-Keto-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• Molecular Formula: C₂₃H₂₈F₂O₆
• Molecular Weight: 438.47
• CAS Registry Number: 52-70-0
• EINECS: 200-150-9
• SMILES: [C@]34([C@@]2([C@H]([C@H]1[C@@]([C@@](C(COC(=O)C)=O)(CC1)O)(C[C@@H]2O)C)C[C@@H](C3=CC(C=C4)=O)F)F)C
• InChI: 1S/C23H28F2O6/c1-12(26)31-11-19(29)22(30)7-5-14-15-9-17(24)16-8-13(27)4-6-20(16,2)23(15,25)18(28)10-21(14,22)3/h4,6,8,14-15,17-18,28,30H,5,7,9-11H2,1-3H3/t14-,15-,17-,18-,20-,21-,22-,23-/m0/s1
• InChIKey: LAAFISZDLHQNFS-WGFKBPOKSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 578.133°C at 760 mmHg (Cal.)
• Flash point: 303.444°C (Cal.)