AILANTHINONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 441784
Name
AILANTHINONE
IUPAC name
(1R,2R,3R,3aS,3a1S,4R,6aR,7aS,11S,11aS,11bR)-1,2,11-trihydroxy-3,8,11a-trimethyl-5,10-dioxo-1,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-2H-1,3a1-(epoxymethano)dibenzo[de,g]chromen-4-yl 2-methylbutanoate
SMILES
CCC(C)C(=O)O[C@@H]1[C@H]2[C@H]([C@H]([C@]3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C
Molecular formula
C25H34O9
Molecular weight
478.54 g/mol
Monoisotopic mass
478.2203 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ailanthus altissima (Mill.) Swingle | bark | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|