Details of K-STROPHANTHIN-BETA
| IUPAC | (3S,5S,8R,9S,10S,13R,14S,17R)-5,14-dihydroxy-3-[(2R,4S,5R,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde |
| Canonical Smiles | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)CO)O)O)O |
| Inchi | FHIREUBIEIPPMC-SADZTDHOSA-N |
| PubChem ID | 20055294 |
| Smiles | COC1CC(OC2CCC3(C=O)C4CCC5(C)C(c6coc(O)c6)CCC5(O)C4CCC3(O)C2)OC(C)C1OC1OC(CO)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC1CC%28OC2CCC3%28C%3DO%29C4CCC5%28C%29C%28c6coc%28O%29c6%29CCC5%28O%29C4CCC3%28O%29C2%29OC%28C%29C1OC1OC%28CO%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- COC1CC%28OC2CCC3%28C%3DO%29C4CCC5%28C%29C%28c6coc%28O%29c6%29CCC5%28O%29C4CCC3%28O%29C2%29OC%28C%29C1OC1OC%28CO%29C%28O%29C%28O%29C1O could not be loaded.
| Class | Cardenolides |
| Super Class | Steroids |
| Pathways | Terpenoids |