Analyte Name

9alpha-Fluoroprednisolone 17-Valerate-d9

Molecular Formula

C26 D9 H26 F O6

Molecular Weight

471.606

Accurate Mass

471.298

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO

InChI

InChI=1S/C26H35FO6/c1-4-5-6-22(32)33-25(21(31)15-28)12-10-18-19-8-7-16-13-17(29)9-11-23(16,2)26(19,27)20(30)14-24(18,25)3/h9,11,13,18-20,28,30H,4-8,10,12,14-15H2,1-3H3/t18-,19-,20-,23-,24-,25-,26-/m0/s1/i1D3,4D2,5D2,6D2

IUPAC

[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3,4,4,5,5,5-nonadeuteriopentanoate

Unlabelled CAS Number

2802-10-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat