Details of Ailanthone
| IUPAC | (1S,4S,5R,7S,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione |
| Canonical Smiles | CC1=CC(=O)[C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@@]([C@@H](C(=C)[C@@H]4CC(=O)O3)O)(OC5)O)C)O |
| Inchi | WBBVXGHSWZIJST-LVDWTMBPSA-N |
| PubChem ID | 49798941 |
| Smiles | C=C1[C@@H]2CC(=O)O[C@@H]3CC4C(C)CC(=O)C(=O)[C@]4(C)[C@H]4[C@](O)(OC[C@]243)[C@@H]1O |
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| Class | Quassinoids |
| Super Class | Triterpenoids |
| Pathways | Terpenoids |