AJUGALACTONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 181744
Name
AJUGALACTONE
IUPAC name
(2S,3R,5R,9R,10R,13R,14R,17S)-17-((R)-1-((R)-4-ethyl-5-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-2,3,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,9,10,11,14,15,16,17-dodecahydro-6H-cyclopenta[a]phenanthrene-6,12(13H)-dione
SMILES
CCC1=C(C(=O)O[C@H](C1)[C@@](C)([C@H]2CC[C@@]3([C@@]2(C(=O)C[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)C
Molecular formula
C29H40O8
Molecular weight
516.63 g/mol
Monoisotopic mass
516.2723 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ajuga chamaepitys (L.) Schreb. | - | 43 ppm |
Jim Duke's personal files.
|
| Ajuga chamaepitys (L.) Schreb. | aerial parts | - |
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
|
| Ajuga reptans L. | - | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|