Details of HALLACTONE B
| IUPAC | (1S,2R,4S,5R,10S,12S,14R,15R,18R)-5-[(2R)-2-hydroxy-1-methylsulfonylpropan-2-yl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.02,4.04,9.012,14.015,18]octadec-8-ene-7,16-dione |
| Canonical Smiles | CC12CC3C(O3)C4(C1C(C5C6(C2=CC(=O)OC6C(C)(CS(=O)(=O)C)O)O5)OC4=O)C |
| Inchi | AVQGMZMZZORTNF-KTFIAZJISA-N |
| PubChem ID | 442036 |
| Smiles | CC(O)(CS(C)(=O)=O)C1OC(=O)C=C2C3(C)CC4OC4C4(C)C(=O)OC(C34)C3OC231 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28O%29%28CS%28C%29%28%3DO%29%3DO%29C1OC%28%3DO%29C%3DC2C3%28C%29CC4OC4C4%28C%29C%28%3DO%29OC%28C34%29C3OC231/file?format=sdf&get3d=True -- CC%28O%29%28CS%28C%29%28%3DO%29%3DO%29C1OC%28%3DO%29C%3DC2C3%28C%29CC4OC4C4%28C%29C%28%3DO%29OC%28C34%29C3OC231 could not be loaded.
| Class | Nagilactone diterpenoids |
| Super Class | Diterpenoids |
| Pathways | Terpenoids |