Details of Nigakilactone E
| IUPAC | [(1S,2S,6S,7S,9R,13R,14S,15R,16S,17R)-14-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] acetate |
| Canonical Smiles | C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2[C@@H]([C@H]([C@@]([C@@H]4CC(=O)O3)(C)O)OC)OC(=O)C)C)C)OC |
| Inchi | ISYHXQAQWVPQKA-SNPVAWBPSA-N |
| PubChem ID | 467798 |
| Smiles | COC1=CC(C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](OC(C)=O)[C@H]([C@@]2(C)C1=O)[C@@]34C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC1%3DCC%28C%29%5BC%40%40H%5D2C%5BC%40H%5D3OC%28%3DO%29C%5BC%40H%5D4%5BC%40%5D%28C%29%28O%29%5BC%40H%5D%28OC%29%5BC%40%40H%5D%28OC%28C%29%3DO%29%5BC%40H%5D%28%5BC%40%40%5D2%28C%29C1%3DO%29%5BC%40%40%5D34C/file?format=sdf&get3d=True -- COC1%3DCC%28C%29%5BC%40%40H%5D2C%5BC%40H%5D3OC%28%3DO%29C%5BC%40H%5D4%5BC%40%5D%28C%29%28O%29%5BC%40H%5D%28OC%29%5BC%40%40H%5D%28OC%28C%29%3DO%29%5BC%40H%5D%28%5BC%40%40%5D2%28C%29C1%3DO%29%5BC%40%40%5D34C could not be loaded.
| Class | Quassinoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |