Details of Ingenol 3-palmitate
| IUPAC | [(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] hexadecanoate |
| Canonical Smiles | CCCCCCCCCCCCCCCC(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C |
| Inchi | DOSPRDHNGNPKKJ-BYPUAWAASA-N |
| PubChem ID | 56841025 |
| Smiles | CCCCCCCCCCCCCCCC(=O)O[C@H]1C(C)=C[C@]23C(=O)C(=CC(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCCCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D1C%28C%29%3DC%5BC%40%5D23C%28%3DO%29C%28%3DCC%28CO%29%5BC%40%40H%5D%28O%29%5BC%40%5D12O%29%5BC%40H%5D1%5BC%40%40H%5D%28C%5BC%40H%5D3C%29C1%28C%29C/file?format=sdf&get3d=True -- CCCCCCCCCCCCCCCC%28%3DO%29O%5BC%40H%5D1C%28C%29%3DC%5BC%40%5D23C%28%3DO%29C%28%3DCC%28CO%29%5BC%40%40H%5D%28O%29%5BC%40%5D12O%29%5BC%40H%5D1%5BC%40%40H%5D%28C%5BC%40H%5D3C%29C1%28C%29C could not be loaded.
| Class | Ingenane diterpenoids, ?-?) |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |
