Analyte Name

(17-Hydroxy-3-oxoestr-5(10)-en-17alpha-yl)acetonitrile

CAS Number

65928-65-6

Molecular Formula

C20 H27 N O2

Molecular Weight

313.43

Accurate Mass

313.2042

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3CCC(=O)C4)[C@@H]1CC[C@@]2(O)CC#N

InChI

InChI=1S/C20H27NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h16-18,23H,2-10,12H2,1H3/t16-,17-,18+,19+,20-/m1/s1

IUPAC

2-[(8R,9S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]acetonitrile

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat