Details of azadirachtanin a
| IUPAC | [(1S,2S,4R,5S,6S,10R,11R,14S,15S,18S,20R)-4,15-diacetyloxy-6-(furan-3-yl)-11,18-dihydroxy-5,10,14-trimethyl-3-oxo-16-oxapentacyclo[12.3.3.01,13.02,10.05,9]icos-8-en-20-yl] acetate |
| Canonical Smiles | CC(=O)O[C@@H]1C[C@@H]([C@@]23CO[C@H]([C@]1(C2C[C@H]([C@@]4([C@@H]3C(=O)[C@@H]([C@@]5(C4=CC[C@H]5C6=COC=C6)C)OC(=O)C)C)O)C)OC(=O)C)O |
| Inchi | YQSXXKRVYCLMRM-SIUABMRBSA-N |
| PubChem ID | 102146586 |
| Smiles | CC(=O)OC1C(=O)C2[C@]34CO[C@@H](OC(C)=O)[C@@](C)(C3C[C@@H](O)[C@@]2(C)C2=CC[C@@H](c3ccoc3)[C@@]21C)[C@H](OC(C)=O)C[C@@H]4O |
| Class | Limonoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |