Analyte Name

21-Dehydro Budesonide-d8

Molecular Formula

C25 D8 H24 O6

Molecular Weight

436.567

Accurate Mass

436.27

SMILES

[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])O[C@@H]2CC3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)C=O

InChI

InChI=1S/C25H32O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,13,16-18,20-22,28H,4-7,11-12H2,1-3H3/t16-,17?,18-,20+,21?,22+,23-,24-,25+/m0/s1/i1D3,4D2,5D2,21D

IUPAC

2-[(1S,4R,8S,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-dien-8-yl]-2-oxoacetaldehyde

Unlabelled CAS Number

85234-63-5

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat