Analyte Name

9-Bromo-6alpha-fluoro-11beta,17,21-trihydroxy-16alpha-methyl-pregna-1,4-diene-3,20-dione 21-Acetate

CAS Number

1997-73-5

Molecular Formula

C24H30BrFO6

Molecular Weight

513.39

Accurate Mass

512.121

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C

InChI

InChI=1S/C24H30BrFO6/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-21(17,3)23(16,25)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3/t12-,15+,16+,18+,19+,21+,22+,23+,24+/m1/s1

IUPAC

[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-9-bromo-6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat