Details of Cimicifugin
| IUPAC | (1R,19S)-3,8,8,17,19-pentamethyl-21-propan-2-yl-23,24-dioxaheptacyclo[19.2.1.01,18.03,17.04,14.07,12.012,14]tetracosane-2,9-diol |
| Canonical Smiles | C[C@H]1CC2(CO[C@]3(C1C4(CCC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)O)C)O2)C(C)C |
| Inchi | SUGCQRXFUUJLDY-RNIOWMLMSA-N |
| PubChem ID | 45048779 |
| Smiles | CC(C)C12CO[C@@]3(O1)C([C@@H](C)C2)C1(C)CCC24CC25CCC(O)C(C)(C)C5CCC4C1(C)C3O |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28C%29C12CO%5BC%40%40%5D3%28O1%29C%28%5BC%40%40H%5D%28C%29C2%29C1%28C%29CCC24CC25CCC%28O%29C%28C%29%28C%29C5CCC4C1%28C%29C3O/file?format=sdf&get3d=True -- CC%28C%29C12CO%5BC%40%40%5D3%28O1%29C%28%5BC%40%40H%5D%28C%29C2%29C1%28C%29CCC24CC25CCC%28O%29C%28C%29%28C%29C5CCC4C1%28C%29C3O could not be loaded.
| Class | Cycloartane triterpenoids, Pseudoalkaloids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |