Details of Tinocrisposide
| IUPAC | methyl (2S,4aR,6R,6aR,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate |
| Canonical Smiles | C[C@@]12C[C@H](OC(=O)[C@@H]1C[C@H]([C@@]3([C@H]2CCC=C3C(=O)OC)C)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=COC=C5 |
| Inchi | RBPCODNTTHTSFN-ZDMQDBCMSA-N |
| PubChem ID | 15934414 |
| Smiles | COC(=O)C1=CCC[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)C3C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C1%3DCCC%5BC%40H%5D2%5BC%40%5D3%28C%29C%5BC%40%40H%5D%28c4ccoc4%29OC%28%3DO%29C3C%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29%5BC%40%40%5D12C/file?format=sdf&get3d=True -- COC%28%3DO%29C1%3DCCC%5BC%40H%5D2%5BC%40%5D3%28C%29C%5BC%40%40H%5D%28c4ccoc4%29OC%28%3DO%29C3C%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29%5BC%40%40%5D12C could not be loaded.
| Class | Colensane and Clerodane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |