6-alpha,9-alpha-Difluoro-11-beta,16-alpha,17-alpha,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione
[CAS# 807-38-5]

Identification

• Name: 6-alpha,9-alpha-Difluoro-11-beta,16-alpha,17-alpha,21-Tetrahydroxypregna-1,4-Diene-3,20-Dione
• Synonyms: (6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-Difluoro-11,16,17-Trihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-Difluoro-17-Glycoloyl-11,16,17-Trihydroxy-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; (6S,8S,9R,10S,11S,13S,14S,16R,17S)-6,9-Difluoro-11,16,17-Trihydroxy-17-(2-Hydroxyethanoyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₂₁H₂₆F₂O₆
• Molecular Weight: 412.43
• CAS Registry Number: 807-38-5
• EINECS: 212-362-9
• SMILES: [C@H]2(C1=CC(=O)C=C[C@@]1([C@@]4([C@@H](C2)[C@@H]3C[C@@H](O)[C@]([C@@]3(C)C[C@@H]4O)(O)C(=O)CO)F)C)F
• InChI: 1S/C21H26F2O6/c1-18-4-3-10(25)5-13(18)14(22)6-12-11-7-15(26)21(29,17(28)9-24)19(11,2)8-16(27)20(12,18)23/h3-5,11-12,14-16,24,26-27,29H,6-9H2,1-2H3/t11-,12-,14-,15+,16-,18-,19-,20-,21-/m0/s1
• InChIKey: UUOUOERPONYGOS-CLCRDYEYSA-N

Properties

• Density: 1.458g/cm³ (Cal.)
• Boiling point: 588.984°C at 760 mmHg (Cal.)
• Flash point: 310.006°C (Cal.)