| Primary information |
|---|
| ID | 20241 |
| Pubchem ID | 5284194 |
| Name | 5 beta-bufol |
| Description | isolated from gall bladder of toad; identified in patients with cerebrotendinous xanthomatosis |
| Synonym | 5beta-Bufol Cholestane-3;7;12;25;26-pentol 5 beta-bufol Cholestane-3;7;12;25;26-pentol; (3alpha;5beta;7alpha;12alpha)- (VAN) 5 beta-bufol |
| Molecular Weight | 452.67 |
| Formula | C27H48O5 |
| IUPAC | (3R;5S;7R;8R;9S;10S;12S;13R;14S;17R)-17-[(2R)-6;7-dihydroxy-6-methylheptan-2-yl]-10;13-dimethyl-2;3;4;5;6;7;8;9;11;12;14;15;16;17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3;7;12-triol |
| SMILE | CC(CCCC(C)(CO)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C |
| PDB ID | NA |
| KEGG | NA |
| HMDB ID | HMDB0002180 |
| Melting Point (Degree C) | NA |
| Water Solubility | NA |
| Drugbank ID | NA |
| Receptor | NA |
| Reference | HMDB
|