TENUIFOLIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21588226
Name
TENUIFOLIN
IUPAC name
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
SMILES
C[C@]1(C[C@@H]2[C@@](CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@]5(C(=O)O)C)O[C@@H]6O[C@@H]([C@H]([C@@H]([C@H]6O)O)O)CO)O)C)C)CO)(CC1)C(=O)O)C
Molecular formula
C36H56O12
Molecular weight
680.83 g/mol
Monoisotopic mass
680.3772 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Polygala major Jacq. | - | - |
Comprehensive characterization of in vivo metabolic profile of Polygalae radix based on ultra-high-performance liquid chromatography tandem mass spectrometry (SI) doi:10.1016/j.jpba.2018.12.005
|