beta-Estradiol 3,17-Disulfate Dipotassium Salt

Analyte Name

beta-Estradiol 3,17-Disulfate Dipotassium Salt

CAS Number

17046-60-5

Molecular Formula

C18 H22 O8 S2 . 2 K

Molecular Weight

508.69

Accurate Mass

508.003

SMILES

[K+].[K+].C[C@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)[O-])ccc34)[C@@H]1CC[C@@H]2OS(=O)(=O)[O-]

InChI

InChI=1S/C18H24O8S2.2K/c1-18-9-8-14-13-5-3-12(25-27(19,20)21)10-11(13)2-4-15(14)16(18)6-7-17(18)26-28(22,23)24;;/h3,5,10,14-17H,2,4,6-9H2,1H3,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/t14-,15-,16+,17+,18+;;/m1../s1

IUPAC

dipotassium;[(8R,9S,13S,14S,17S)-13-methyl-3-sulfonatooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] sulfate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)