Analyte Name

Fluticasone 21-Isobutyrate-d6

Molecular Formula

C26 D6 H27 F3 O5 S

Molecular Weight

520.634

Accurate Mass

520.238

SMILES

[2H]C([2H])([2H])C(C(=O)O[C@@]1([C@H](C)C[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@]12C)C(=O)SCF)C([2H])([2H])[2H]

InChI

InChI=1S/C26H33F3O5S/c1-13(2)21(32)34-26(22(33)35-12-27)14(3)8-16-17-10-19(28)18-9-15(30)6-7-23(18,4)25(17,29)20(31)11-24(16,26)5/h6-7,9,13-14,16-17,19-20,31H,8,10-12H2,1-5H3/t14-,16+,17+,19+,20+,23+,24+,25+,26+/m1/s1/i1D3,2D3

IUPAC

[(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 3,3,3-trideuterio-2-(trideuteriomethyl)propanoate

Unlabelled CAS Number

1648562-63-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat