16-Dehydropregnenolone oxime
17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 16-Dehydropregnenolone oxime|5,16-Pregnenolone oxime|16-Dehydropregnenolone oxime, D5125_SIGMA, 5,16-Pregnadien-3|A-ol-20-one oxime, 5,16-Pregnadien-3beta-ol-20-one oxime, 3|A-Hydroxy-5,16-pregnadien-20-one oxime, 3beta-Hydroxy-5,16-pregnadien-20-one oxime, 1045-71-2|17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C21H31NO2 |
|---|---|
| Molecular Weight | 329.23547 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.23547 |
| Monoisotopic Mass | 329.23547 |
| Heavy Atoms | 24 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 1045-71-2 |
|---|---|
| SMILES | CC(=NO)C1=CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C |
| InChIKey | PUAYLIXQYVQBPE-UHFFFAOYSA-N |
Product Overview
16-Dehydropregnenolone oxime (CAS 1045-71-2), with molecular formula C21H31NO2 and molecular weight 329.23547 g/mol. IUPAC: 17-(N-hydroxy-C-methylcarbonimidoyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol.