Analyte Name

11beta,17-Dihydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylic Acid

CAS Number

95671-46-8

Molecular Formula

C20 H26 O5

Molecular Weight

346.417

Accurate Mass

346.178

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@@]2(O)C(=O)O

InChI

InChI=1S/C20H26O5/c1-18-7-5-12(21)9-11(18)3-4-13-14-6-8-20(25,17(23)24)19(14,2)10-15(22)16(13)18/h5,7,9,13-16,22,25H,3-4,6,8,10H2,1-2H3,(H,23,24)/t13-,14-,15-,16+,18-,19-,20+/m0/s1

IUPAC

(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive small molecule

Product Format

Neat