AJUGASTERONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 441826
Name
AJUGASTERONE
IUPAC name
(2S,3R,5R,9R,10R,11R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-2,3,11,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one
SMILES
CC(C)CC[C@H]([C@@](C)([C@H]1CC[C@@]2([C@@]1(C[C@H]([C@H]3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)O)C)O)O)O
Molecular formula
C27H44O7
Molecular weight
480.64 g/mol
Monoisotopic mass
480.3087 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ajuga reptans L. | - | - |
J.S. Glasby Dict.Pls Containing 2ndary Metabolite. 1991.
|