Details of Daturalactone 4
| IUPAC | (1S,2S,4S,5R,10R,11S,14R,15R,18S)-15-[(1S)-1-[(1S,4R,6S)-1,6-dimethyl-2-oxo-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-5-hydroxy-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-7-en-9-one |
| Canonical Smiles | C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]4[C@H](O4)[C@@]5([C@@]3(C(=O)C=CC5)C)O)C)[C@H]6C[C@]7([C@](O7)(C(=O)O6)C)C |
| Inchi | HMAKYIOVUKVWAW-KIEDGMJVSA-N |
| PubChem ID | 21672218 |
| Smiles | C[C@H]([C@H]1C[C@]2(C)O[C@]2(C)C(=O)O1)[C@H]1CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4[C@@]4(O)C=CCC(=O)[C@]4(C)[C@H]3CC[C@@]21C |
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| Class | Ergostane steroids, Ergostane steroids |
| Super Class | Steroids |
| Pathways | Terpenoids |