Analyte Name

Mespirenone

CAS Number

87952-98-5

Molecular Formula

C25 H30 O4 S

Molecular Weight

426.57

Accurate Mass

426.1865

SMILES

CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5[C@@]46CCC(=O)O6)[C@H]13

InChI

InChI=1S/C25H30O4S/c1-13(26)30-19-11-14-10-15(27)4-7-23(14,2)17-5-8-24(3)22(21(17)19)16-12-18(16)25(24)9-6-20(28)29-25/h4,7,10,16-19,21-22H,5-6,8-9,11-12H2,1-3H3/t16-,17+,18+,19-,21+,22+,23+,24+,25+/m1/s1

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat