Details of Borapetoside E
| IUPAC | methyl (1S,2R,7S,8S,9R)-8-[(2R)-2-(furan-3-yl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,8-dimethyl-10-oxo-11-oxatricyclo[7.2.1.02,7]dodec-3-ene-3-carboxylate |
| Canonical Smiles | C[C@@]1([C@@H]2CCC=C([C@@]2([C@@H]3C[C@H]1C(=O)O3)C)C(=O)OC)C[C@H](C4=COC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O |
| Inchi | ZXGKLWUOGQDOTD-IYIXDXQLSA-N |
| PubChem ID | 124578182 |
| Smiles | COC(=O)C1=CCC[C@H]2[C@](C)(C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccoc3)C3C[C@H](OC3=O)[C@@]12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C1%3DCCC%5BC%40H%5D2%5BC%40%5D%28C%29%28C%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29c3ccoc3%29C3C%5BC%40H%5D%28OC3%3DO%29%5BC%40%40%5D12C/file?format=sdf&get3d=True -- COC%28%3DO%29C1%3DCCC%5BC%40H%5D2%5BC%40%5D%28C%29%28C%5BC%40%40H%5D%28O%5BC%40%40H%5D3O%5BC%40H%5D%28CO%29%5BC%40%40H%5D%28O%29%5BC%40H%5D%28O%29%5BC%40H%5D3O%29c3ccoc3%29C3C%5BC%40H%5D%28OC3%3DO%29%5BC%40%40%5D12C could not be loaded.
| Class | Not available |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |