Details of BETA-ACETYLDIGITOXIN
| IUPAC | [4-hydroxy-6-[4-hydroxy-6-[4-hydroxy-6-[[14-hydroxy-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]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl] acetate |
| Canonical Smiles | CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O |
| Inchi | AFTNEYIAJGSGIX-UHFFFAOYSA-N |
| PubChem ID | 164799 |
| Smiles | CC(=O)OC1C(O)CC(OC2C(O)CC(OC3C(O)CC(OC4CCC5(C)C(CCC6C5CCC5(C)C(c7coc(O)c7)CCC65O)C4)OC3C)OC2C)OC1C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28%3DO%29OC1C%28O%29CC%28OC2C%28O%29CC%28OC3C%28O%29CC%28OC4CCC5%28C%29C%28CCC6C5CCC5%28C%29C%28c7coc%28O%29c7%29CCC65O%29C4%29OC3C%29OC2C%29OC1C/file?format=sdf&get3d=True -- CC%28%3DO%29OC1C%28O%29CC%28OC2C%28O%29CC%28OC3C%28O%29CC%28OC4CCC5%28C%29C%28CCC6C5CCC5%28C%29C%28c7coc%28O%29c7%29CCC65O%29C4%29OC3C%29OC2C%29OC1C could not be loaded.
| Class | |
| Super Class | |
| Pathways |
