Analyte Name

Estriol 16alpha-(beta-D-Glucuronide) Sodium Salt

CAS Number

1852-44-4

Molecular Formula

C24 H31 Na O9

Molecular Weight

486.487

Accurate Mass

486.187

SMILES

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O[Na])[C@@H]2O

InChI

InChI=1S/C24H32O9.Na/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31;/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31);/q;+1/p-1/t13-,14-,15+,16-,17+,18+,19-,20+,21+,23-,24+;/m1./s1

IUPAC

[(2S,3S,4S,5R,6R)-6-[[(8R,9S,13S,14S,16R,17R)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-16-yl]oxy]-3,4,5-trihydroxyoxane-2-carbonyl]oxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat