Details of Betulone
| IUPAC | (1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-one |
| Canonical Smiles | CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)CO |
| Inchi | JYDNKGUBLIKNAM-CNRMHUMKSA-N |
| PubChem ID | 10411004 |
| Smiles | C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DC%28C%29%5BC%40%40H%5D1CC%5BC%40%5D2%28CO%29CC%5BC%40%5D3%28C%29%5BC%40H%5D%28CC%5BC%40%40H%5D4%5BC%40%40%5D5%28C%29CCC%28%3DO%29C%28C%29%28C%29%5BC%40%40H%5D5CC%5BC%40%5D43C%29%5BC%40%40H%5D12/file?format=sdf&get3d=True -- C%3DC%28C%29%5BC%40%40H%5D1CC%5BC%40%5D2%28CO%29CC%5BC%40%5D3%28C%29%5BC%40H%5D%28CC%5BC%40%40H%5D4%5BC%40%40%5D5%28C%29CCC%28%3DO%29C%28C%29%28C%29%5BC%40%40H%5D5CC%5BC%40%5D43C%29%5BC%40%40H%5D12 could not be loaded.
| Class | Lupane triterpenoids, Lupane triterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |