Analyte Name

(6alpha,11beta,16alpha)-21-(Acetyloxy)-9-bromo-6-fluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione

CAS Number

74131-91-2

Molecular Formula

C26 H34 Br F O7

Molecular Weight

557.446

Accurate Mass

556.147

SMILES

CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(Br)[C@@H](O)C[C@]23C

InChI

InChI=1S/C26H34BrFO7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(28)17-8-14(30)6-7-23(17,4)25(16,27)19(31)11-24(15,26)5/h8,15-16,18-19,21,31H,6-7,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

IUPAC

[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12-bromo-19-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl] acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat