Back ChemicalBook Home>CAS DataBase List>1434-54-4More Spectrum> 5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE(1434-54-4) MS
5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE(1434-54-4) MS
Product Name5-PREGNEN-3BETA-OL-20-ONE-16ALPHA-CARBONITRILE
CAS1434-54-4
Molecular FormulaC22H31NO2
Molecular Weight341.49
InChIInChI=1/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/s3
InChIKey VSBHRRMYCDQLJF-MWDBKISHNA-N
Smiles[C@@]12([H])C[C@@H](C#N)[C@H](C(=O)C)[C@@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@H](O)CC3=CC[C@@]21[H] |&1:0,3,6,10,14,16,20,26,r|
