Analyte Name

4-Bromo Fulvestrant

Molecular Formula

C32 H46 Br F5 O3 S

Molecular Weight

685.667

Accurate Mass

684.227

SMILES

C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4c(Br)c(O)ccc34)[C@@H]1CC[C@@H]2O

InChI

InChI=1S/C32H46BrF5O3S/c1-30-17-15-23-22-11-13-26(39)29(33)24(22)20-21(28(23)25(30)12-14-27(30)40)10-7-5-3-2-4-6-8-18-42(41)19-9-16-31(34,35)32(36,37)38/h11,13,21,23,25,27-28,39-40H,2-10,12,14-20H2,1H3/t21-,23-,25+,27+,28-,30+,42?/m1/s1

IUPAC

(7R,8R,9S,13S,14S,17S)-4-bromo-13-methyl-7-[9-(4,4,5,5,5-pentafluoropentylsulfinyl)nonyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat