6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione
[CAS# 60864-55-3]

Identification

• Name: 6beta,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione
• Synonyms: (6R,8S,10S,11S,13S,14S,17R)-6,9-Difluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (6R,8S,10S,11S,13S,14S,17R)-6,9-Difluoro-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (6R,8S,10S,11S,13S,14S,17R)-6,9-Difluoro-11,17-Dihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₂₆F₂O₅
• Molecular Weight: 396.43
• CAS Registry Number: 60864-55-3
• EINECS: 262-494-6
• SMILES: [C@]34(C2([C@H]([C@H]1[C@@]([C@@](C(=O)CO)(CC1)O)(C[C@@H]2O)C)C[C@H](C3=CC(C=C4)=O)F)F)C
• InChI: 1S/C21H26F2O5/c1-18-5-3-11(25)7-14(18)15(22)8-13-12-4-6-20(28,17(27)10-24)19(12,2)9-16(26)21(13,18)23/h3,5,7,12-13,15-16,24,26,28H,4,6,8-10H2,1-2H3/t12-,13-,15+,16-,18-,19-,20-,21?/m0/s1
• InChIKey: ABUISBDTYAZRHY-ITNFBUOGSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 568.288°C at 760 mmHg (Cal.)
• Flash point: 297.49°C (Cal.)