Analyte Name

Dexamethasone 21-Phosphate Dimer-d8 Sodium Salt

Molecular Formula

C44 D8 H48 F2 Na O12 P

Molecular Weight

876.918

Accurate Mass

876.388

SMILES

[2H]C1=C[C@@]2(C)C(=C([2H])C1=O)C([2H])([2H])C[C@H]3[C@@H]4C[C@@H](C)[C@](O)(C(=O)COP(=O)(O[Na])OCC(=O)[C@]5(O)[C@@H](C)C[C@@H]6[C@H]7CC([2H])([2H])C8=C([2H])C(=O)C(=C[C@@]8(C)[C@]7(F)[C@H](O)C[C@@]56C)[2H])[C@@]4(C)C[C@H](O)[C@]23F

InChI

InChI=1S/C44H57F2O12P.Na/c1-23-15-31-29-9-7-25-17-27(47)11-13-37(25,3)41(29,45)33(49)19-39(31,5)43(23,53)35(51)21-57-59(55,56)58-22-36(52)44(54)24(2)16-32-30-10-8-26-18-28(48)12-14-38(26,4)42(30,46)34(50)20-40(32,44)6;/h11-14,17-18,23-24,29-34,49-50,53-54H,7-10,15-16,19-22H2,1-6H3,(H,55,56);/q;+1/p-1/t23-,24+,29+,30-,31+,32-,33+,34-,37+,38-,39+,40-,41+,42-,43+,44-;/i7D2,8D2,11D,12D,17D,18D;

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat