Details of alpha-Acetyldigoxin
| IUPAC | [(2R,3R,4S,6S)-6-[(2R,3S,4S,6S)-6-[(2R,3S,4S,6R)-6-[[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2-methyloxan-3-yl]oxy-3-hydroxy-2-methyloxan-4-yl] acetate |
| Canonical Smiles | CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O |
| Inchi | HWKJSYYYURVNQU-DXJNJSHLSA-N |
| PubChem ID | 11765960 |
| Smiles | CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CC(O)C5(C)C(c7coc(O)c7)CCC65O)C4)OC3C)OC2C)OC(C)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28%3DO%29OC1CC%28OC2C%28O%29CC%28OC3C%28O%29CC%28OC4CCC5%28C%29C%28CCC6C5CC%28O%29C5%28C%29C%28c7coc%28O%29c7%29CCC65O%29C4%29OC3C%29OC2C%29OC%28C%29C1O/file?format=sdf&get3d=True -- CC%28%3DO%29OC1CC%28OC2C%28O%29CC%28OC3C%28O%29CC%28OC4CCC5%28C%29C%28CCC6C5CC%28O%29C5%28C%29C%28c7coc%28O%29c7%29CCC65O%29C4%29OC3C%29OC2C%29OC%28C%29C1O could not be loaded.
| Class | Cardenolides |
| Super Class | Steroids |
| Pathways | Terpenoids |
