Details of Rotundioside F
| IUPAC | (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2R,4S,5R,8R,10S,13S,14R,17S,18R)-2-hydroxy-4,5,9,9,13,20,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol |
| Canonical Smiles | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H]([C@H](O[C@H]3O[C@H]4CC[C@]5([C@H](C4(C)C)CC[C@@]6([C@@H]5C=C[C@@]78[C@]6(C[C@H]([C@@]9([C@H]7CC(CC9)(C)C)CO8)O)C)C)C)C)O)O)CO)O)O)O)O)O |
| Inchi | HMEMJYQIFNQSFR-DQKATWECSA-N |
| PubChem ID | 101093904 |
| Smiles | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]3O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4C=C[C@]46OC[C@@]7(CCC(C)(C)C[C@H]74)[C@H](O)C[C@]65C)C3(C)C)O[C@H](CO)[C@@H](O)[C@@H]2O)[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%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D3%5BC%40%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D%28C%29O%5BC%40H%5D3O%5BC%40H%5D3CC%5BC%40%40%5D4%28C%29%5BC%40%40H%5D%28CC%5BC%40%5D5%28C%29%5BC%40%40H%5D4C%3DC%5BC%40%5D46OC%5BC%40%40%5D7%28CCC%28C%29%28C%29C%5BC%40H%5D74%29%5BC%40H%5D%28O%29C%5BC%40%5D65C%29C3%28C%29C%29O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D2O%29%5BC%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%40H%5D2%5BC%40H%5D%28O%5BC%40%40H%5D3%5BC%40%40H%5D%28O%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D%28C%29O%5BC%40H%5D3O%5BC%40H%5D3CC%5BC%40%40%5D4%28C%29%5BC%40%40H%5D%28CC%5BC%40%5D5%28C%29%5BC%40%40H%5D4C%3DC%5BC%40%5D46OC%5BC%40%40%5D7%28CCC%28C%29%28C%29C%5BC%40H%5D74%29%5BC%40H%5D%28O%29C%5BC%40%5D65C%29C3%28C%29C%29O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40%40H%5D2O%29%5BC%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D1O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |