Analyte Name

Androstane-3alpha,17beta-diol 17-Glucuronide Sodium

Molecular Formula

C25H39O8.Na

Molecular Weight

490.56

Accurate Mass

490.25

SMILES

C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](OC5OC(C(O)C(O)C5O)C(=O)O[Na])[C@@]4(C)CC[C@H]23

InChI

InChI=1S/C25H40O8.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;/h12-21,23,26-29H,3-11H2,1-2H3,(H,30,31);/q;+1/p-1/t12-,13+,14-,15-,16-,17-,18?,19?,20?,21?,23?,24-,25-;/m0./s1

IUPAC

[3,4,5-Trihydroxy-6-[[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxy]tetrahydropyran-2-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat