Analyte Name

17alpha-Des-(2-hydroxyacetyl)budesonide 17alpha-Carboxylic Acid-d8

Molecular Formula

C24 D8 H24 O6

Molecular Weight

424.557

Accurate Mass

424.27

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)C2(O1)C(=O)O

InChI

InChI=1S/C24H32O6/c1-4-5-19-29-18-11-16-15-7-6-13-10-14(25)8-9-22(13,2)20(15)17(26)12-23(16,3)24(18,30-19)21(27)28/h8-10,15-20,26H,4-7,11-12H2,1-3H3,(H,27,28)/t15-,16-,17-,18+,19?,20+,22-,23-,24?/m0/s1/i1D3,4D2,5D2,19D

IUPAC

(1S,2S,4R,9S,11S,12S,13R)-6-deuterio-6-(1,1,2,2,3,3,3-heptadeuteriopropyl)-11-hydroxy-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-diene-8-carboxylic acid

Unlabelled CAS Number

192057-49-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat