Bufotalin
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | |SysName=(3beta,5beta,16beta)- | + | |SysName=(3beta,5beta,16beta)-16-(acetyloxy)-3,14-Dihydroxy-bufa-20,22-dienolide |
|Common Name=&&Bufotalin&&3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate&&3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate&& | |Common Name=&&Bufotalin&&3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate&&3beta,14,16beta-Trihydroxy-5beta-bufa-20,22-dienolide 16-acetate&& | ||
|CAS=471-95-4 | |CAS=471-95-4 | ||
|KNApSAcK= | |KNApSAcK= | ||
}} | }} | ||
Revision as of 11:28, 19 December 2009
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 471-95-4 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Bufotalin.mol |
| Bufotalin | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3beta,5beta,16beta)-16-(acetyloxy)-3,14-Dihydroxy-bufa-20,22-dienolide |
| Common Name |
|
| Symbol | |
| Formula | C26H36O6 |
| Exact Mass | 444.251188884 |
| Average Mass | 444.56043999999997 |
| SMILES | C(C1([H])2)CC(C4C(C=5)=COC(=O)C5)(C(CC(OC(C)=O)4)( |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
