Details of ROHITUKA 6
| IUPAC | [(1S,2R,3S,4S,8S,10R,12R,13S,15S,16S)-15-acetyloxy-4-(acetyloxymethyl)-13-(furan-3-yl)-16-hydroxy-3-(2-methoxy-2-oxoethyl)-2,4,12-trimethyl-17-methylidene-6-oxo-5,9-dioxatetracyclo[8.7.0.02,8.012,16]heptadecan-11-yl] 3-methylbutanoate |
| Canonical Smiles | CC(C)CC(=O)OC1C2C(C(=C)C3(C1(C(CC3OC(=O)C)C4=COC=C4)C)O)C5(C(O2)CC(=O)OC(C5CC(=O)OC)(C)COC(=O)C)C |
| Inchi | GUXVBUWQHNKOBR-FUGWJUGKSA-N |
| PubChem ID | 102075001 |
| Smiles | C=C1C2C(OC3CC(=O)OC(C)(COC(C)=O)C(CC(=O)OC)C32C)C(OC(=O)CC(C)C)C2(C)C(c3ccoc3)CC(OC(C)=O)C12O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/C%3DC1C2C%28OC3CC%28%3DO%29OC%28C%29%28COC%28C%29%3DO%29C%28CC%28%3DO%29OC%29C32C%29C%28OC%28%3DO%29CC%28C%29C%29C2%28C%29C%28c3ccoc3%29CC%28OC%28C%29%3DO%29C12O/file?format=sdf&get3d=True -- C%3DC1C2C%28OC3CC%28%3DO%29OC%28C%29%28COC%28C%29%3DO%29C%28CC%28%3DO%29OC%29C32C%29C%28OC%28%3DO%29CC%28C%29C%29C2%28C%29C%28c3ccoc3%29CC%28OC%28C%29%3DO%29C12O could not be loaded.
| Class | Limonoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |