21-Thiocarboxylic Acid Fluticasone Dimer Impurity

Analyte Name

21-Thiocarboxylic Acid Fluticasone Dimer Impurity

Molecular Formula

C42 H50 F4 O8 S

Molecular Weight

790.9

Accurate Mass

790.316

SMILES

C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)[C@@]5(O)[C@@H](C)C[C@H]6[C@@H]7C[C@H](F)C8=CC(=O)C=C[C@]8(C)[C@@]7(F)C(O)C[C@]56C)C(=O)S

InChI

InChI=1S/C42H50F4O8S/c1-19-11-23-25-15-29(43)27-13-21(47)7-9-35(27,3)39(25,45)31(49)17-37(23,5)41(19,53)33(51)54-42(34(52)55)20(2)12-24-26-16-30(44)28-14-22(48)8-10-36(28,4)40(26,46)32(50)18-38(24,42)6/h7-10,13-14,19-20,23-26,29-32,49-50,53H,11-12,15-18H2,1-6H3,(H,52,55)/t19-,20+,23-,24-,25-,26-,29-,30-,31?,32+,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1

IUPAC

(6S,8S,9R,10S,11R,13S,14S,16R,17R)-17-[(6S,8S,9R,10S,13S,14S,16S,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonyl]oxy-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbothioic S-acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat