Details of Daturalactone-3
| IUPAC | (1S,2S,4S,5R,10R,11S,13R,14R,15R,18S)-15-[(1S)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-5,13-dihydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one |
| Canonical Smiles | CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2([C@@H](C[C@H]4[C@H]3[C@H]5[C@H](O5)[C@@]6([C@@]4(C(=O)C=CC6)C)O)O)C)C |
| Inchi | DGZBYFRXLDYRMK-FNMIBHOCSA-N |
| PubChem ID | 101316930 |
| Smiles | CC1=C(C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)C=CCC(=O)[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)C1 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/CC1%3DC%28C%29C%28%3DO%29O%5BC%40%40H%5D%28%5BC%40%40H%5D%28C%29%5BC%40H%5D2CC%5BC%40H%5D3%5BC%40%40H%5D4%5BC%40%40H%5D5O%5BC%40%40H%5D5%5BC%40%40%5D5%28O%29C%3DCCC%28%3DO%29%5BC%40%5D5%28C%29%5BC%40H%5D4C%5BC%40%40H%5D%28O%29%5BC%40%40%5D32C%29C1/file?format=sdf&get3d=True -- CC1%3DC%28C%29C%28%3DO%29O%5BC%40%40H%5D%28%5BC%40%40H%5D%28C%29%5BC%40H%5D2CC%5BC%40H%5D3%5BC%40%40H%5D4%5BC%40%40H%5D5O%5BC%40%40H%5D5%5BC%40%40%5D5%28O%29C%3DCCC%28%3DO%29%5BC%40%5D5%28C%29%5BC%40H%5D4C%5BC%40%40H%5D%28O%29%5BC%40%40%5D32C%29C1 could not be loaded.
| Class | Ergostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |