Details of Xyloccensin E
| IUPAC | [(1R,2R,6R,7R,10S,12S,14R,15R,16S,17R,18S,19S,20R)-18,19,20-triacetyloxy-6-(furan-3-yl)-7,12,15,17-tetramethyl-4-oxo-5,11,13,21-tetraoxaheptacyclo[10.8.1.114,17.01,10.02,7.010,15.014,19]docosan-16-yl] 2-methoxyacetate |
| Canonical Smiles | CC(=O)O[C@H]1[C@@]2(C[C@]34[C@]1([C@@H]([C@]56[C@@H]7CC(=O)O[C@H]([C@@]7(CC[C@@]5([C@]3([C@H]2OC(=O)COC)C)O[C@@](O4)(O6)C)C)C8=COC=C8)OC(=O)C)OC(=O)C)C |
| Inchi | HBXWLQXJFYLQHO-OPSRHREQSA-N |
| PubChem ID | 56680327 |
| Smiles | COCC(=O)O[C@H]1[C@@]2(C)C[C@]34O[C@]5(C)O[C@@]6(CC[C@@]7(C)[C@H](c8ccoc8)OC(=O)C[C@H]7[C@@]6(O5)[C@@H](OC(C)=O)[C@@]3(OC(C)=O)[C@H]2OC(C)=O)[C@@]14C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COCC%28%3DO%29O%5BC%40H%5D1%5BC%40%40%5D2%28C%29C%5BC%40%5D34O%5BC%40%5D5%28C%29O%5BC%40%40%5D6%28CC%5BC%40%40%5D7%28C%29%5BC%40H%5D%28c8ccoc8%29OC%28%3DO%29C%5BC%40H%5D7%5BC%40%40%5D6%28O5%29%5BC%40%40H%5D%28OC%28C%29%3DO%29%5BC%40%40%5D3%28OC%28C%29%3DO%29%5BC%40H%5D2OC%28C%29%3DO%29%5BC%40%40%5D14C/file?format=sdf&get3d=True -- COCC%28%3DO%29O%5BC%40H%5D1%5BC%40%40%5D2%28C%29C%5BC%40%5D34O%5BC%40%5D5%28C%29O%5BC%40%40%5D6%28CC%5BC%40%40%5D7%28C%29%5BC%40H%5D%28c8ccoc8%29OC%28%3DO%29C%5BC%40H%5D7%5BC%40%40%5D6%28O5%29%5BC%40%40H%5D%28OC%28C%29%3DO%29%5BC%40%40%5D3%28OC%28C%29%3DO%29%5BC%40H%5D2OC%28C%29%3DO%29%5BC%40%40%5D14C could not be loaded.
| Class | Limonoids, Fenchane monoterpenoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |
