Details of 6-deacetylnimbin
| IUPAC | methyl (1S,2R,3R,4R,8R,9S,10R,13R,15R)-13-(furan-3-yl)-2-hydroxy-9-(2-methoxy-2-oxoethyl)-4,8,10,12-tetramethyl-7-oxo-16-oxatetracyclo[8.6.0.03,8.011,15]hexadeca-5,11-diene-4-carboxylate |
| Canonical Smiles | CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@@H]([C@H]4O)[C@](C=CC5=O)(C)C(=O)OC)C)CC(=O)OC)C |
| Inchi | CTBHKOAPXBDFPX-PQYHCQQJSA-N |
| PubChem ID | 10505484 |
| Smiles | COC(=O)C[C@H]1[C@]2(C)C3=C(C)[C@H](c4ccoc4)C[C@H]3O[C@@H]2[C@H](O)[C@H]2[C@](C)(C(=O)OC)C=CC(=O)[C@]12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C%5BC%40H%5D1%5BC%40%5D2%28C%29C3%3DC%28C%29%5BC%40H%5D%28c4ccoc4%29C%5BC%40H%5D3O%5BC%40%40H%5D2%5BC%40H%5D%28O%29%5BC%40H%5D2%5BC%40%5D%28C%29%28C%28%3DO%29OC%29C%3DCC%28%3DO%29%5BC%40%5D12C/file?format=sdf&get3d=True -- COC%28%3DO%29C%5BC%40H%5D1%5BC%40%5D2%28C%29C3%3DC%28C%29%5BC%40H%5D%28c4ccoc4%29C%5BC%40H%5D3O%5BC%40%40H%5D2%5BC%40H%5D%28O%29%5BC%40H%5D2%5BC%40%5D%28C%29%28C%28%3DO%29OC%29C%3DCC%28%3DO%29%5BC%40%5D12C could not be loaded.
| Class | Limonoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |