14-Anhydrobufalin
5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one
Also Known As: 14-Anhydrobufalin|14-Dehydrobufalin|3-Hydroxybufa-14,20,22-trienolide|3-Hydroxybufa-14,20,22-trienolide #|5.beta.-Bufa-14,20,22-trienolide, 3.beta.-hydroxy-|5.beta.-Bufa-14,22-trienolide, 3.beta.-hydroxy-|Bufa-14,20,22-trienolide, 3-hydroxy-, (3.beta.,5.beta.)-|Bufa-14,22-trienolide, 3-hydroxy-, (3.beta.,5.beta.)-|5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one
| Molecular Formula | C24H32O3 |
|---|---|
| Molecular Weight | 368.23514 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 368.23514 |
| Monoisotopic Mass | 368.23514 |
| Heavy Atoms | 27 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 7439-77-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2CCC4(C3=CCC4C5=COC(=O)C=C5)C)O |
| InChIKey | LPARRDGBTTTYTR-UHFFFAOYSA-N |
Product Overview
14-Anhydrobufalin (CAS 7439-77-2), with molecular formula C24H32O3 and molecular weight 368.23514 g/mol. IUPAC: 5-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyran-2-one.