Details of Scoparic acid C
| IUPAC | (1R,4aR,5R,8R,8aR)-8-benzoyloxy-5-(3-formylbut-3-enyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid |
| Canonical Smiles | C[C@]12CCC[C@@]([C@@H]1[C@@H](CC(=C)[C@H]2CCC(=C)C=O)OC(=O)C3=CC=CC=C3)(C)C(=O)O |
| Inchi | NTDJBAOUNYDJKY-YVIAOSTFSA-N |
| PubChem ID | 44584623 |
| Smiles | C=C(C=O)CC[C@@H]1C(=C)C[C@@H](OC(=O)c2ccccc2)[C@H]2[C@](C)(C(=O)O)CCC[C@]12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DC%28C%3DO%29CC%5BC%40%40H%5D1C%28%3DC%29C%5BC%40%40H%5D%28OC%28%3DO%29c2ccccc2%29%5BC%40H%5D2%5BC%40%5D%28C%29%28C%28%3DO%29O%29CCC%5BC%40%5D12C/file?format=sdf&get3d=True -- C%3DC%28C%3DO%29CC%5BC%40%40H%5D1C%28%3DC%29C%5BC%40%40H%5D%28OC%28%3DO%29c2ccccc2%29%5BC%40H%5D2%5BC%40%5D%28C%29%28C%28%3DO%29O%29CCC%5BC%40%5D12C could not be loaded.
| Class | Norlabdane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |