Details of ROHITUKA 3
| IUPAC | [(1R,2R,4S,8R,9R,10R,12S,16S,21R)-7-(furan-3-yl)-4-hydroxy-1,8,16-trimethyl-3-methylidene-5,14,19-trioxo-11,15,18-trioxapentacyclo[10.9.0.02,10.04,8.016,21]henicosan-9-yl] (3R)-2-hydroxy-3-methylpentanoate |
| Canonical Smiles | CCC(C)C(C(=O)OC1C2C(C(=C)C3(C1(C(CC3=O)C4=COC=C4)C)O)C5(C6CC(=O)OCC6(OC(=O)CC5O2)C)C)O |
| Inchi | WQTDOKKJTKGBTA-BTQFQRCOSA-N |
| PubChem ID | 153247 |
| Smiles | C=C1C2C(OC3CC(=O)OC4(C)COC(=O)CC4C32C)C(OC(=O)C(O)C(C)CC)C2(C)C(c3ccoc3)CC(=O)C12O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DC1C2C%28OC3CC%28%3DO%29OC4%28C%29COC%28%3DO%29CC4C32C%29C%28OC%28%3DO%29C%28O%29C%28C%29CC%29C2%28C%29C%28c3ccoc3%29CC%28%3DO%29C12O/file?format=sdf&get3d=True -- C%3DC1C2C%28OC3CC%28%3DO%29OC4%28C%29COC%28%3DO%29CC4C32C%29C%28OC%28%3DO%29C%28O%29C%28C%29CC%29C2%28C%29C%28c3ccoc3%29CC%28%3DO%29C12O could not be loaded.
| Class | Limonoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |