Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-
5-(3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one
Also Known As: Gamabufotalin|Gamabufagin|Gamabufogenin|Gammabufotalin|Neritaloside|Gamabufotalin [M+H]+|Gamabufagin;Gamabufogenin|3,11,14-Trihydroxybufa-20,22-dienolide #|Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3.beta.,5.beta.,11.alpha.)-|Bufa-20,22-dienolide,3,11,14-trihydroxy-, (3b,5b,11a)-|5.beta.-Bufa-20,22-dienolide, 3.beta.,11.alpha.,14-trihydroxy-|3-.beta.,11-.alpha.,14-Trihydroxy-5-.beta.-bufa-20,22-dienolide|5-(3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one|Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)-|5-(3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-17-yl)pyran-2-one|5-[(3S,5R,8R,9S,10S,11R,13R,14S,17R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one|5-{5,11,17-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl}-2H-pyran-2-one
| Molecular Formula | C24H34O5 |
|---|---|
| Molecular Weight | 402.24063 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 402.24063 |
| Monoisotopic Mass | 402.24063 |
| Heavy Atoms | 29 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 465-11-2 |
|---|---|
| SMILES | CC12CCC(CC1CCC3C2C(CC4(C3(CCC4C5=COC(=O)C=C5)O)C)O)O |
| InChIKey | FMTLOAVOGWSPEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- (CAS 465-11-2), with molecular formula C24H34O5 and molecular weight 402.24063 g/mol. IUPAC: 5-(3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pyran-2-one.
Bufa-20,22-dienolide, 3,11,14-trihydroxy-, (3beta,5beta,11alpha)- is a custom synthesis product. We offer services from milligram to kilogram scale.
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