CYASTERONE
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 119444
Name
CYASTERONE
IUPAC name
(3S,4S,5R)-4-((2R,3R)-2,3-dihydroxy-3-((2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl)-3,5-dimethyldihydrofuran-2(3H)-one
SMILES
C[C@H]1[C@@H]([C@H](OC1=O)C)C[C@H]([C@@](C)([C@H]2CC[C@@]3([C@@]2(CC[C@H]4C3=CC(=O)[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O)O)C)C)O)O)O
Molecular formula
C29H44O8
Molecular weight
520.66 g/mol
Monoisotopic mass
520.3036 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Ajuga chamaepitys (L.) Schreb. | - | 160 ppm |
Jim Duke's personal files.
|
| Ajuga reptans L. | - | - |
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
|