Details of WITHAPERUVIN
| IUPAC | (2R)-2-[(1S)-1-hydroxy-1-[(4S,5S,6S,8R,9S,10R,13S,14R,17S)-4,5,6,14,17-pentahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4,5-dimethyl-2,3-dihydropyran-6-one |
| Canonical Smiles | CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)O)C)O)O)O)C |
| Inchi | XLUKITCTLVOOAW-VQDSAXESSA-N |
| PubChem ID | 333470 |
| Smiles | CC1=C(C)C(=O)OC(C(C)(O)C2(O)CCC3(O)C4CC(O)C5(O)C(=O)CCC(=O)C5(C)C4CCC32C)C1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1%3DC%28C%29C%28%3DO%29OC%28C%28C%29%28O%29C2%28O%29CCC3%28O%29C4CC%28O%29C5%28O%29C%28%3DO%29CCC%28%3DO%29C5%28C%29C4CCC32C%29C1/file?format=sdf&get3d=True -- CC1%3DC%28C%29C%28%3DO%29OC%28C%28C%29%28O%29C2%28O%29CCC3%28O%29C4CC%28O%29C5%28O%29C%28%3DO%29CCC%28%3DO%29C5%28C%29C4CCC32C%29C1 could not be loaded.
| Class | Ergostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |
