Details of OBACUNONE
| IUPAC | (1R,2R,4S,7S,8S,11R,12R,18R)-7-(furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icos-13-ene-5,15,20-trione |
| Canonical Smiles | CC1(C2CC(=O)C3(C(C2(C=CC(=O)O1)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C |
| Inchi | MAYJEFRPIKEYBL-OASIGRBWSA-N |
| PubChem ID | 119041 |
| Smiles | CC1(C)OC(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1%28C%29OC%28%3DO%29C%3DCC2%28C%29C1CC%28%3DO%29C1%28C%29C2CCC2%28C%29C%28c3ccoc3%29OC%28%3DO%29C3OC321/file?format=sdf&get3d=True -- CC1%28C%29OC%28%3DO%29C%3DCC2%28C%29C1CC%28%3DO%29C1%28C%29C2CCC2%28C%29C%28c3ccoc3%29OC%28%3DO%29C3OC321 could not be loaded.
| Class | Limonoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |