Details of marstenacigenins A
| IUPAC | (E)-3-phenyl-1-[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-3,8,14,17-tetrahydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl]prop-2-en-1-one |
| Canonical Smiles | CC(C1(CCC2(C1(C(CC3C2(CCC4C3(CCC(C4)O)C)O)C(=O)C=CC5=CC=CC=C5)C)O)O)O |
| Inchi | QVZCCVNQRNHWFQ-QVZAOLLMSA-N |
| PubChem ID | 101694474 |
| Smiles | CC(O)C1(O)CCC2(O)C3(O)CCC4CC(O)CCC4(C)C3CC(C(=O)C=Cc3ccccc3)C12C |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC%28O%29C1%28O%29CCC2%28O%29C3%28O%29CCC4CC%28O%29CCC4%28C%29C3CC%28C%28%3DO%29C%3DCc3ccccc3%29C12C/file?format=sdf&get3d=True -- CC%28O%29C1%28O%29CCC2%28O%29C3%28O%29CCC4CC%28O%29CCC4%28C%29C3CC%28C%28%3DO%29C%3DCc3ccccc3%29C12C could not be loaded.
| Class | Pregnane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |