4-Bromo-spironolactone

Analyte Name

4-Bromo-spironolactone

Molecular Formula

C24 H31 Br O4 S

Molecular Weight

495.469

Accurate Mass

494.113

SMILES

CC(=O)S[C@H]1CC2=C(Br)C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@H]13

InChI

InChI=1S/C24H31BrO4S/c1-13(26)30-18-12-16-21(25)17(27)6-8-22(16,2)14-4-9-23(3)15(20(14)18)5-10-24(23)11-7-19(28)29-24/h14-15,18,20H,4-12H2,1-3H3/t14-,15-,18-,20+,22+,23-,24+/m0/s1

IUPAC

S-[(7S,8R,9S,10R,13S,14S,17R)-4-bromo-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat