Ethisterone(434-03-7) 1H NMR
Molecular FormulaC21H28O2
Molecular Weight312.45
InChIInChI=1/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/s3
InChIKey CHNXZKVNWQUJIB-FKWJPFIENA-N
Smiles[C@@]12([H])CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H] |&1:0,4,8,12,14,24,r|