AJUGAREPTANSONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 157530
Name
AJUGAREPTANSONE
IUPAC name
((1R,4aR,5S,6R,8S,8aR)-8-acetoxy-5,6-dimethyl-4-oxo-5-(2-(5-oxo-2,5-dihydrofuran-3-yl)ethyl)-4,4a,5,6,7,8-hexahydro-8aH-spiro[naphthalene-1,2'-oxiran]-8a-yl)methyl acetate
SMILES
C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)C(=O)C=C[C@]24CO4)COC(=O)C)OC(=O)C
Molecular formula
C24H30O8
Molecular weight
446.50 g/mol
Monoisotopic mass
446.1941 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ajuga reptans L. | - | - |
J.S. Glasby Dict.Pls Containing 2ndary Metabolite. 1991.
|