Details of cucurbic-acid
| IUPAC | [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4S,5R)-3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11S,12aR,14bS)-8,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate |
| Canonical Smiles | CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C9(CC(C(C(C9C(CC8(C7(CC6)C)C)O)(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)(C)C)O)O)C)O)O)O)O |
| Inchi | CQUSHZSCDGSFBF-NBHXUDFYSA-N |
| PubChem ID | 179637 |
| Smiles | CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(O)C9O)C(C)(CO)C8C(O)CC7(C)C5(C)CC6)OCC(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1OC%28OC2C%28O%29COC%28OC3C%28C%29OC%28OC4C%28OC%28%3DO%29C56CCC%28C%29%28C%29CC5C5%3DCCC7C8%28C%29CC%28O%29C%28OC9OC%28CO%29C%28O%29C%28O%29C9O%29C%28C%29%28CO%29C8C%28O%29CC7%28C%29C5%28C%29CC6%29OCC%28O%29C4O%29C%28O%29C3O%29C2O%29C%28O%29C%28O%29C1O/file?format=sdf&get3d=True -- CC1OC%28OC2C%28O%29COC%28OC3C%28C%29OC%28OC4C%28OC%28%3DO%29C56CCC%28C%29%28C%29CC5C5%3DCCC7C8%28C%29CC%28O%29C%28OC9OC%28CO%29C%28O%29C%28O%29C9O%29C%28C%29%28CO%29C8C%28O%29CC7%28C%29C5%28C%29CC6%29OCC%28O%29C4O%29C%28O%29C3O%29C2O%29C%28O%29C%28O%29C1O could not be loaded.
| Class | Oleanane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |