Testosterone Beta-D-Glucuronide Monosodium Salt

Analyte Name

Testosterone beta-D-Glucuronide monosodium salt

CAS Number

4145-59-9

Molecular Formula

C25 H35 O8 . Na

Molecular Weight

486.53

Accurate Mass

486.223

SMILES

[Na+].C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)[O-]

InChI

InChI=1S/C25H36O8.Na/c1-24-9-7-13(26)11-12(24)3-4-14-15-5-6-17(25(15,2)10-8-16(14)24)32-23-20(29)18(27)19(28)21(33-23)22(30)31;/h11,14-21,23,27-29H,3-10H2,1-2H3,(H,30,31);/q;+1/p-1/t14-,15-,16-,17-,18-,19-,20+,21-,23+,24-,25-;/m0./s1

IUPAC

sodium;(2S,3S,4S,5R,6R)-6-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate

Alternate CAS Number

Free acid: 1180-25-2

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Testosterone

Purity

>95% (HPLC)