Details of BETA-ECDYSONE
| IUPAC | (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one |
| Canonical Smiles | CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O |
| Inchi | NKDFYOWSKOHCCO-YPVLXUMRSA-N |
| PubChem ID | 5459840 |
| Smiles | CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=C(CCC12C)C1(C)CC(O)C(O)CC1C(=O)C3 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28C%29%28O%29CCC%28O%29C%28C%29%28O%29C1CCC2%28O%29C3%3DC%28CCC12C%29C1%28C%29CC%28O%29C%28O%29CC1C%28%3DO%29C3/file?format=sdf&get3d=True -- CC%28C%29%28O%29CCC%28O%29C%28C%29%28O%29C1CCC2%28O%29C3%3DC%28CCC12C%29C1%28C%29CC%28O%29C%28O%29CC1C%28%3DO%29C3 could not be loaded.
| Class | Ecdysteroids |
| Super Class | Steroids |
| Pathways | Terpenoids |