Details of Cardenolide B-3
| IUPAC | 3-[(1R,3S,5S,7S,10S,11R,14R,15R,18R)-18-hydroxy-7-[(2R,4R,5S,6R)-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-2-yl]oxy-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadecan-15-yl]-2H-furan-5-one |
| Canonical Smiles | CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C46C(O6)CC3C2)O)C7=CC(=O)OC7)C)C)OC)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O |
| Inchi | CDDZQSPMZJIHKC-PIIDMWCDSA-N |
| PubChem ID | 101482497 |
| Smiles | COC1CC(OC2CCC3(C)C(C2)CC2OC24C3CCC2(C)C(c3coc(O)c3)CCC24O)OC(C)C1OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O |
| Class | |
| Super Class | |
| Pathways |