Nombre del analito

17alpha-Dihydroequilin sodium sulfate

Número CAS

56050-05-6

Fórmula molecular

C18 H21 O5 S . Na

Peso molecular

372.41

Masa exacta

372.1007

SMILES

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

InChI

InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16-17,19H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,17-,18+;/m1./s1

IUPAC

sodium;[(9S,13S,14S,17R)-17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] sulfate

Alternar número CAS

Free acid: 73088-23-0

País de origen

CANADA

Formato del producto

Neat