Details of CLERODENDRIN B
| IUPAC | [(1R,2S,3R,5S,6S,8S,8aR)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-acetyloxy-2-methylbutanoate |
| Canonical Smiles | CCC(C)(C(=O)OC1C(CC2C(C(CC(C2(C13CO3)COC(=O)C)OC(=O)C)C)(C)C4CC5C=COC5O4)O)OC(=O)C |
| Inchi | QJRGPOZOQFQNIW-ARLQUCBXSA-N |
| PubChem ID | 3084755 |
| Smiles | CCC(C)(OC(C)=O)C(=O)OC1C(O)CC2C(C)(C3CC4C=COC4O3)C(C)CC(OC(C)=O)C2(COC(C)=O)C12CO2 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CCC%28C%29%28OC%28C%29%3DO%29C%28%3DO%29OC1C%28O%29CC2C%28C%29%28C3CC4C%3DCOC4O3%29C%28C%29CC%28OC%28C%29%3DO%29C2%28COC%28C%29%3DO%29C12CO2/file?format=sdf&get3d=True -- CCC%28C%29%28OC%28C%29%3DO%29C%28%3DO%29OC1C%28O%29CC2C%28C%29%28C3CC4C%3DCOC4O3%29C%28C%29CC%28OC%28C%29%3DO%29C2%28COC%28C%29%3DO%29C12CO2 could not be loaded.
| Class | Colensane and Clerodane diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |