Details of Periplocin
| IUPAC | 3-[(3S,5S,8R,9S,10R,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-10,13-dimethyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| Canonical Smiles | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| Inchi | KWBPKUMWVXUSCA-AXQDKOMKSA-N |
| PubChem ID | 14463159 |
| Smiles | CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)C(c6coc(O)c6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CO%5BC%40H%5D1C%5BC%40H%5D%28O%5BC%40H%5D2CC%5BC%40%5D3%28C%29%5BC%40H%5D4CC%5BC%40%5D5%28C%29C%28c6coc%28O%29c6%29CC%5BC%40%5D5%28O%29%5BC%40%40H%5D4CC%5BC%40%5D3%28O%29C2%29O%5BC%40H%5D%28C%29%5BC%40H%5D1O%5BC%40%40H%5D1O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O/file?format=sdf&get3d=True -- CO%5BC%40H%5D1C%5BC%40H%5D%28O%5BC%40H%5D2CC%5BC%40%5D3%28C%29%5BC%40H%5D4CC%5BC%40%5D5%28C%29C%28c6coc%28O%29c6%29CC%5BC%40%5D5%28O%29%5BC%40%40H%5D4CC%5BC%40%5D3%28O%29C2%29O%5BC%40H%5D%28C%29%5BC%40H%5D1O%5BC%40%40H%5D1O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O could not be loaded.
| Class | Cardenolides |
| Super Class | Steroids |
| Pathways | Terpenoids |
