3-Hydroxy-16-sulfanylpregn-5-en-20-one
1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
Also Known As: Lycorine hydrochloride|3-hydroxy-16-sulfanylpregn-5-en-20-one|1-(10,13-dimethyl-3-oxidanyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone|1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone|1-(3-hydroxy-16-mercapto-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone
| Molecular Formula | C21H32O2S |
|---|---|
| Molecular Weight | 348.2123 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.2123 |
| Monoisotopic Mass | 348.2123 |
| Heavy Atoms | 24 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 2188-68-3 |
|---|---|
| SMILES | CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)S |
| InChIKey | HTBOVUXSVLNKHT-UHFFFAOYSA-N |
Product Overview
3-Hydroxy-16-sulfanylpregn-5-en-20-one (CAS 2188-68-3), with molecular formula C21H32O2S and molecular weight 348.2123 g/mol. IUPAC: 1-(3-hydroxy-10,13-dimethyl-16-sulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone.