Analyte Name

17beta-Estradiol 17-Sulfate Potassium Salt-d3

Molecular Formula

C18 D3 H20 K O5 S

Molecular Weight

393.554

Accurate Mass

393.109

SMILES

[2H]C1([2H])C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@@]1([2H])OS(=O)(=O)O[K]

InChI

InChI=1S/C18H24O5S.K/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)23-24(20,21)22;/h3,5,10,14-17,19H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,17+,18+;/m1./s1/i7D2,17D;

IUPAC

[(8R,9S,13S,14S,17S)-16,16,17-trideuterio-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl]oxysulfonyloxypotassium

Unlabelled CAS Number

23929-50-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat