Analyte Name

Estriol-d3 3-O-beta-D-Glucuronide Sodium Salt

Molecular Formula

C24 D3 H28 Na O9

Molecular Weight

489.506

Accurate Mass

489.205

SMILES

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](O)[C@]4([2H])O)[C@@H]3CCc2c([2H])c1O[C@@H]5O[C@@H]([C@@H](O)C(O)C5O)C(=O)O[Na]

InChI

InChI=1S/C24H32O9.Na/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29;/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/i3D,8D,21D;

IUPAC

[(2S,3S,6S)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,16R,17R)-2,4,17-trideuterio-16,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carbonyl]oxysodium

Unlabelled CAS Number

15087-06-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat