Analyte Name

6b-Hydroxy Etonogestrel

CAS Number

215252-94-1

Molecular Formula

C22H28O3

Molecular Weight

340.46

Accurate Mass

340.2038

SMILES

C(C)[C@@]12[C@]([C@]3([C@](C(=C)C1)([C@@]4(C([C@H](O)C3)=CC(=O)CC4)[H])[H])[H])(CC[C@]2(C#C)O)[H]

InChI

InChI=1S/C22H28O3/c1-4-21-12-13(3)20-15-7-6-14(23)10-16(15)19(24)11-17(20)18(21)8-9-22(21,25)5-2/h2,10,15,17-20,24-25H,3-4,6-9,11-12H2,1H3/t15-,17-,18-,19+,20+,21-,22-/m0/s1

IUPAC

(6R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-6,17-dihydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat