5beta-Cardanolide
(4R)-4-[(5S,8R,9S,10S,13S,14R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one
Also Known As: 5beta-cardanolide|CARDANOLIDE, (5.BETA.)-|(4R)-4-[(5S,8R,9S,10S,13S,14R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one|(4R)-4-[(1R,3aR,3bR,5aS,9aS,9bS,11aS)-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxolan-2-one|(R)-4-((5S,8R,9S,10S,13S,14R,17R)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)dihydrofuran-2(3H)-one
| Molecular Formula | C23H36O2 |
|---|---|
| Molecular Weight | 344.27155 g/mol |
| LogP | 5.5985 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.27155 |
| Monoisotopic Mass | 344.27155 |
| Heavy Atoms | 25 |
| Complexity | 556.296 |
Chemical Identifiers
| CAS Number | 468-97-3 |
|---|---|
| SMILES | C[C@]12CCCC[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@H]4[C@H]5CC(=O)OC5)C |
Product Overview
5beta-Cardanolide (CAS 468-97-3), with molecular formula C23H36O2 and molecular weight 344.27155 g/mol. IUPAC: (4R)-4-[(5S,8R,9S,10S,13S,14R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxolan-2-one.