Chemical Component Summary | |
|---|---|
| Name | bufalin |
| Identifiers | 5-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one |
| Formula | C24 H34 O4 |
| Molecular Weight | 386.524 |
| Type | NON-POLYMER |
| Isomeric SMILES | C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O |
| InChI | InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1 |
| InChIKey | QEEBRPGZBVVINN-BMPKRDENSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 62 |
| Chiral Atom Count | 8 |
| Bond Count | 66 |
| Aromatic Bond Count | 0 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 9547215 |
| ChEMBL | CHEMBL399680 |
| ChEBI | CHEBI:517248 |
| CCDC/CSD | BEWYAD |
