Details of Scillaren A
| IUPAC | 5-[(3S,8R,9S,10R,13R,14S,17R)-3-[(2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one |
| Canonical Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
| Inchi | NXJOCELNFPGKIV-ARHXXGKOSA-N |
| PubChem ID | 441870 |
| Smiles | C[C@@H]1O[C@@H](O[C@@H]2C=C3CC[C@@H]4[C@H](CC[C@]5(C)[C@@H](c6ccc(=O)oc6)CC[C@]45O)[C@@]3(C)CC2)[C@H](O)[C@H](O)[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/C%5BC%40%40H%5D1O%5BC%40%40H%5D%28O%5BC%40%40H%5D2C%3DC3CC%5BC%40%40H%5D4%5BC%40H%5D%28CC%5BC%40%5D5%28C%29%5BC%40%40H%5D%28c6ccc%28%3DO%29oc6%29CC%5BC%40%5D45O%29%5BC%40%40%5D3%28C%29CC2%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%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 -- C%5BC%40%40H%5D1O%5BC%40%40H%5D%28O%5BC%40%40H%5D2C%3DC3CC%5BC%40%40H%5D4%5BC%40H%5D%28CC%5BC%40%5D5%28C%29%5BC%40%40H%5D%28c6ccc%28%3DO%29oc6%29CC%5BC%40%5D45O%29%5BC%40%40%5D3%28C%29CC2%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%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 | Bufadienolides |
| Super Class | Steroids |
| Pathways | Terpenoids |