Analyte Name

9-Bromo-betamethasone Valerate-d9

Molecular Formula

C27 D9 H28 Br O6

Molecular Weight

546.538

Accurate Mass

545.234

SMILES

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

InChI

InChI=1S/C27H37BrO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19+,20-,21-,24-,25-,26-,27-/m0/s1/i1D3,5D2,6D2,7D2

IUPAC

[(8R,9R,10S,11S,13S,14S,16S,17R)-9-bromo-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat