6alpha,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
[CAS# 57331-14-3]

Identification

• Name: 6alpha,9-Difluoro-11beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
• 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] Dihydrogen Phosphate; [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] Dihydrogen Phosphate; 6Alpha,9-Difluoro-11Beta,17,21-Trihydroxypregna-1,4-Diene-3,20-Dione 21-(Dihydrogen Phosphate)
• Molecular Formula: C₂₁H₂₇F₂O₈P
• Molecular Weight: 476.41
• CAS Registry Number: 57331-14-3
• EINECS: 260-683-8
• SMILES: [C@H]24[C@H]1[C@@]([C@](O)(CC1)C(=O)CO[P](=O)(O)O)(C[C@H](O)[C@]2(F)[C@@]3(C(=CC(=O)C=C3)[C@@H](F)C4)C)C
• InChI: 1S/C21H27F2O8P/c1-18-5-3-11(24)7-14(18)15(22)8-13-12-4-6-20(27,17(26)10-31-32(28,29)30)19(12,2)9-16(25)21(13,18)23/h3,5,7,12-13,15-16,25,27H,4,6,8-10H2,1-2H3,(H2,28,29,30)/t12-,13-,15-,16-,18-,19-,20-,21-/m0/s1
• InChIKey: PTFJOVUOXOHPIW-RBKZJGKHSA-N

Properties

• Density: 1.519g/cm³ (Cal.)
• Boiling point: 671.851°C at 760 mmHg (Cal.)
• Flash point: 360.123°C (Cal.)