Analyte Name

21-(3-Carboxy-1-oxopropoxy)-17-hydroxy-pregn-4-ene-3,20-dione-d4 Monosodium Salt

Molecular Formula

C25 D4 H29 O7 . Na

Molecular Weight

472.54

Accurate Mass

472.238

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]3CC[C@]12C

InChI

InChI=1S/C25H33O7.Na.H/c1-23-10-7-16(26)13-15(23)3-4-17-18(23)8-11-24(2)19(17)9-12-25(24,31)20(27)14-32-22(30)6-5-21(28)29;;/h13,17-19,31H,3-12,14H2,1-2H3;;/t17-,18+,19+,23+,24+,25+;;/m1../s1/i5D2,6D2;;

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat