Analyte Name

(17beta)-17-Hydroxy-estra-4,9,11-trien-3-one Oxime

CAS Number

17542-81-3

Molecular Formula

C18H23NO2

Molecular Weight

285.38

Accurate Mass

285.17

SMILES

C[C@@]12[C@@H](O)CC[C@@]1([H])[C@]3([H])CCC4=C/C(CCC4=C3C=C2)=N/O

InChI

InChI=1S/C18H23NO2/c1-18-9-8-14-13-5-3-12(19-21)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20-21H,2-7H2,1H3/b19-12+/t15-,16+,17+,18+/m1/s1

IUPAC

(8S,13S,14S,17S,E)-17-hydroxy-13-methyl-1,2,6,7,8,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one oxime

Alternate CAS Number

unknown geometry: 17542-81-3

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat