PRIMULIC ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 90474507
Name
PRIMULIC ACID
IUPAC name
(2S,3R,4S,5R,6R)-4-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,12aS,14aR,14bR)-8-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3CC[C@]4([C@H](C3(C)C)CC[C@@]5([C@@H]4CC=C6[C@]5(C[C@H]([C@@]7([C@H]6CC(CC7)(C)C)CO)O)C)C)C)C(=O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)O)O)O
Molecular formula
C54H88O23
Molecular weight
1,105.28 g/mol
Monoisotopic mass
1,104.5716 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Primula veris L. subsp. columnae (Ten.) Maire & Petitm. | - | - |
Jentzsch, K., Spiegl, P., Fuchs, L. (1961). Comparative investigations on the anthelmintic effects of saponins in vitro. Arzneim-Forsch, 11, 413-414
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