Desfluoromethyl Fluticasone Disulfide

Analyte Name

Desfluoromethyl Fluticasone Disulfide

Molecular Formula

C42 H50 F4 O8 S2

Molecular Weight

822.96521

Accurate Mass

822.2883

SMILES

O=C1C=C[C@]2(C([C@H](C[C@@]3([C@@]2([C@H](C[C@]4([C@]3(C[C@H]([C@@]4(C(SSC([C@]5([C@@H](C[C@]6([C@@]7(C[C@@H](C8=CC(C=C[C@@]8([C@]7([C@H](C[C@@]65C)O)F)C)=O)F)[H])[H])C)O)=O)=O)O)C)[H])C)O)F)[H])F)=C1)C

InChI

InChI=1S/C42H50F4O8S2/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)55-56-34(52)42(54)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/h7-10,13-14,19-20,23-26,29-32,49-50,53-54H,11-12,15-18H2,1-6H3/t19-,20-,23+,24+,25+,26+,29+,30+,31+,32+,35+,36+,37+,38+,39+,40+,41+,42+/m1/s1

IUPAC

S-[(6S,8S,9R,10S,11S,13S,14S,16R,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]sulfanyl (6S,8S,9R,10S,11S,13S,14S,16R,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-carbothioate

Country of Origin

CANADA

Product Format

Neat