Details of SWIETENOLIDE-3-ACETATE
| IUPAC | methyl 2-[(1R,5R,6R,13S,14S,16S)-14-acetyloxy-6-(furan-3-yl)-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.02,11.05,10]heptadec-10-en-16-yl]-2-hydroxyacetate |
| Canonical Smiles | CC(=O)OC1C2CC3=C4CC(=O)OC(C4(CCC3C(C2=O)(C(C1(C)C)C(C(=O)OC)O)C)C)C5=COC=C5 |
| Inchi | LUDUHKJIKKLONS-AEXLHLMCSA-N |
| PubChem ID | 6708550 |
| Smiles | COC(=O)C(O)C1C(C)(C)C(OC(C)=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/COC%28%3DO%29C%28O%29C1C%28C%29%28C%29C%28OC%28C%29%3DO%29C2CC3%3DC4CC%28%3DO%29OC%28c5ccoc5%29C4%28C%29CCC3C1%28C%29C2%3DO/file?format=sdf&get3d=True -- COC%28%3DO%29C%28O%29C1C%28C%29%28C%29C%28OC%28C%29%3DO%29C2CC3%3DC4CC%28%3DO%29OC%28c5ccoc5%29C4%28C%29CCC3C1%28C%29C2%3DO could not be loaded.
| Class | Limonoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |