Analyte Name

19-Norandrosterone 3-Glucuronide-d5 sodium

Molecular Formula

C24H30D5O8.Na

Molecular Weight

479.55

Accurate Mass

479.25

SMILES

[2H]C1([2H])C[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CC[C@H]2C([2H])([2H])[C@]1([2H])O[C@@H]5OC([C@@H](O)[C@H](O)C5O)C(=O)O[Na]

InChI

InChI=1S/C24H36O8.Na/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30;/h11-16,18-21,23,26-28H,2-10H2,1H3,(H,29,30);/q;+1/p-1/t11-,12+,13-,14+,15+,16-,18-,19-,20?,21?,23+,24-;/m0./s1/i3D2,10D2,12D;

IUPAC

[(3S,4S,6R)-3,4,5-trihydroxy-6-[[(3R,5S,8R,9R,10S,13S,14S)-2,2,3,4,4-pentadeuterio-13-methyl-17-oxo-1,5,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]tetrahydropyran-2-carbonyl]oxysodium

Unlabelled CAS Number

294213-86-8

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat