Analyte Name

Dexamethasone Hemisuccinate-d4

Molecular Formula

C26 D4 H29 F O8

Molecular Weight

496.56

Accurate Mass

496.2411

SMILES

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

InChI

InChI=1S/C26H33FO8/c1-14-10-18-17-5-4-15-11-16(28)8-9-23(15,2)25(17,27)19(29)12-24(18,3)26(14,34)20(30)13-35-22(33)7-6-21(31)32/h8-9,11,14,17-19,29,34H,4-7,10,12-13H2,1-3H3,(H,31,32)/t14-,17+,18+,19+,23+,24+,25+,26+/m1/s1/i6D2,7D2

IUPAC

2,2,3,3-tetradeuterio-4-[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid

Unlabelled CAS Number

3800-86-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat