Details of spergulagenic acid a
| IUPAC | (2S,4aR,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid |
| Canonical Smiles | C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)O |
| Inchi | MCHKKYSPJGWAHQ-DQLFAPCQSA-N |
| PubChem ID | 12315597 |
| Smiles | CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C(=O)O)CC[C@]21C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1%28C%29%5BC%40%40H%5D%28O%29CC%5BC%40%40%5D2%28C%29%5BC%40H%5D1CC%5BC%40%5D1%28C%29%5BC%40%40H%5D2CC%3DC2%5BC%40%40H%5D3C%5BC%40%40%5D%28C%29%28C%28%3DO%29O%29CC%5BC%40%5D3%28C%28%3DO%29O%29CC%5BC%40%5D21C/file?format=sdf&get3d=True -- CC1%28C%29%5BC%40%40H%5D%28O%29CC%5BC%40%40%5D2%28C%29%5BC%40H%5D1CC%5BC%40%5D1%28C%29%5BC%40%40H%5D2CC%3DC2%5BC%40%40H%5D3C%5BC%40%40%5D%28C%29%28C%28%3DO%29O%29CC%5BC%40%5D3%28C%28%3DO%29O%29CC%5BC%40%5D21C could not be loaded.
| Class | Oleanane triterpenoids, Ursane and Taraxastane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |