Details of GYMNEMIC-ACID-XI
| IUPAC | (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aR,9R,10R,12aS,14aR,14bR)-8,9,10-trihydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8a-[[(2S)-2-methylbutanoyl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| Canonical Smiles | CCC(C)C(=O)OCC12C(CC(C(C1O)O)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C |
| Inchi | DAEICXOPEYOMGC-DDRSIQBQSA-N |
| PubChem ID | 14258863 |
| Smiles | CCC(C)C(=O)OCC12C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C1CC(C)(C)C(O)C2O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCC%28C%29C%28%3DO%29OCC12C%28O%29CC3%28C%29C%28%3DCCC4C5%28C%29CCC%28OC6OC%28C%28%3DO%29O%29C%28O%29C%28O%29C6O%29C%28C%29%28CO%29C5CCC43C%29C1CC%28C%29%28C%29C%28O%29C2O/file?format=sdf&get3d=True -- CCC%28C%29C%28%3DO%29OCC12C%28O%29CC3%28C%29C%28%3DCCC4C5%28C%29CCC%28OC6OC%28C%28%3DO%29O%29C%28O%29C%28O%29C6O%29C%28C%29%28CO%29C5CCC43C%29C1CC%28C%29%28C%29C%28O%29C2O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |