(5Z,9alpha,11alpha,13E)-9-Fluoro-11,17,21-trihydroxy-Pregna-1,4-diene-3,20-dione
[CAS# 100311-08-8]

Identification

• Name: (5Z,9alpha,11alpha,13E)-9-Fluoro-11,17,21-trihydroxy-Pregna-1,4-diene-3,20-dione
• Synonyms: 2,2-Dichloro-N-[(1R,2R)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Acetamide; (8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxyacetyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; 2,2-Dichloro-N-[(1R,2R)-2-Hydroxy-1-(Hydroxymethyl)-2-(4-Nitrophenyl)Ethyl]Acetamide; (8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-Dihydroxy-17-(2-Hydroxy-1-Oxoethyl)-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One; 2,2-Dichloro-N-[(1R,2R)-2-Hydroxy-1-Methylol-2-(4-Nitrophenyl)Ethyl]Acetamide; (8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-17-Glycoloyl-11,17-Dihydroxy-10,13-Dimethyl-6,7,8,11,12,14,15,16-Octahydrocyclopenta[A]Phenanthren-3-One
• Molecular Formula: C₃₂H₃₉Cl₂FN₂O₁₀
• Molecular Weight: 701.57
• CAS Registry Number: 100311-08-8
• SMILES: [C@H]34[C@H]2[C@@](F)([C@@]1(C(=CC(=O)C=C1)CC2)C)[C@@H](O)C[C@@]3([C@](O)(CC4)C(=O)CO)C.[C@@H](O)(C5=CC=C([N+]([O-])=O)C=C5)[C@H](NC(=O)C(Cl)Cl)CO
• InChI: 1S/C21H27FO5.C11H12Cl2N2O5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20(27,17(26)11-23)19(14,2)10-16(25)21(15,18)22;12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h5,7,9,14-16,23,25,27H,3-4,6,8,10-11H2,1-2H3;1-4,8-10,16-17H,5H2,(H,14,18)/t14-,15-,16-,18-,19-,20-,21-;8-,9-/m01/s1
• InChIKey: OEFVWGGITJQAEM-CAOSENNISA-N