Analyte Name

6-Formyl-17-hydroxy-Exemestane

Molecular Formula

C20H24O3

Molecular Weight

312.41

Accurate Mass

312.17

SMILES

C[C@]12C(C(C=O)=C[C@]3([H])[C@]1([H])CC[C@]4([C@@]3([H])CC[C@@H]4O)C)=CC(C=C2)=O

InChI

InChI=1S/C20H24O3/c1-19-7-5-13(22)10-17(19)12(11-21)9-14-15-3-4-18(23)20(15,2)8-6-16(14)19/h5,7,9-11,14-16,18,23H,3-4,6,8H2,1-2H3/t14-,15-,16-,18-,19+,20-/m0/s1

IUPAC

(8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-3-oxo-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-6-carbaldehyde

Country of Origin

CANADA

Product Format

Neat