Details of Vakognavine[neutral]
| IUPAC | [(1S,2R,3R,4S,5S,7R,8S,9S,11R,12S,14R,16R,18S)-4,16,18-triacetyloxy-7-formyl-7,10-dimethyl-15-methylidene-13-oxo-10-azahexacyclo[7.7.1.12,14.01,12.03,8.03,11]octadecan-5-yl] benzoate |
| Canonical Smiles | CC(=O)O[C@@H]1[C@H]2C(=C)[C@H]([C@]34[C@@H]1[C@]56[C@H]([C@H](C3)N([C@@H]5[C@H]4C2=O)C)[C@](C[C@@H]([C@H]6OC(=O)C)OC(=O)C7=CC=CC=C7)(C)C=O)OC(=O)C |
| Inchi | COSBAEJVJIUFND-PEPWSDHPSA-N |
| PubChem ID | 101324763 |
| Smiles | CC(=O)OC1=C(C)C2C(=O)C3[C@H]4N(C)[C@H]5C[C@@]13[C@@H]([C@@H]2OC(C)=O)[C@@]41[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)C[C@@](C)(C=O)[C@@H]51 |
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| Class | Pseudoalkaloids, Tetracyclic diterpenoids |
| Super Class | Terpenoids |
| Pathways | Alkaloids |