S-deacetyl spironolactone

Analyte Name

Desacetylspironolactone

CAS Number

38753-76-3

Molecular Formula

C22 H30 O3 S

Molecular Weight

374.54

Accurate Mass

374.539

SMILES

C[C@]12CCC(=O)C=C1C[C@@H](S)[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]45CCC(=O)O5

InChI

InChI=1S/C22H30O3S/c1-20-7-3-14(23)11-13(20)12-17(26)19-15(20)4-8-21(2)16(19)5-9-22(21)10-6-18(24)25-22/h11,15-17,19,26H,3-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1

IUPAC

(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-7-sulfanylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Spironolactone

Purity

>95% (HPLC)