Analyte Name

Cortisone Sodium Succinate-d4

Molecular Formula

C25 D4 H27 O8 . Na

Molecular Weight

486.523

Accurate Mass

486.217

SMILES

[Na].[2H]C([2H])(C(=O)[O])C([2H])([2H])C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C

InChI

InChI=1S/C25H31O8.Na.H/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30;;/h11,16-17,22,32H,3-10,12-13H2,1-2H3;;/t16-,17-,22+,23-,24-,25-;;/m0../s1/i5D2,6D2;;

IUPAC

[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2,2,3,3-tetradeuterio-4-?1-oxidanyl-4-oxobutanoate;sodium hydride

Unlabelled CAS Number

7415-42-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat