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CHEBI:231686 - Digoxin-d3
| Formula | C41H61D3O14 |
| Net Charge | 0 |
| Average Mass | 783.967 |
| Monoisotopic Mass | 783.44844 |
| SMILES | [2H]C1=C(C2CCC3(O)C4CCC5CC(OC6CC(O)C(OC7CC(O)C(OC8CC(O)C(O)C(C)O8)C(C)O7)C(C)O6)CCC5(C)C4CC(O)C23C)C([2H])([2H])OC1=O |
| InChI | InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/i12D,18D2 |
| InChIKey | LTMHDMANZUZIPE-YTQDZEBXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Withania somnifera (ncbitaxon:126910) | - | MetaboLights (MTBLS10418) |
| Roles Classification |
|---|
| Application: | cardioprotective agent Any protective agent that is able to prevent damage to the heart. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Digoxin-d3 (CHEBI:231686) is a cardenolide glycoside (CHEBI:38092) |
| IUPAC Name |
|---|
| 3,5,5-trideuterio-4-[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]furan-2-one |