Description
An impurity of Levonorgestrel, an emergency contraceptive used to prevent pregnancy.
Synonyms
13-Ethyl-3-methoxy-gona-2,5(10)-diene-17-one; Tren; Trena; Methoxygonadiene
IUPAC Name
(8R,9S,13S,14S)-13-ethyl-3-methoxy-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
Molecular Formula
C20H28O2
Canonical SMILES
CCC12CCC3C(C1CCC2=O)CCC4=C3CC=C(C4)OC
InChI
InChI=1S/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3/t16-,17-,18+,20+/m1/s1
InChIKey
PQMRKLSVUBRLLQ-XSYGEPLQSA-N
Appearance
White to Off-White Solid