BRYOCOUMARIC ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 102239746
Name
BRYOCOUMARIC ACID
IUPAC name
(2R,4aS,6aS,8aR,10R,12aS,14aS,14bR)-10-(((E)-3-(4-hydroxyphenyl)acryloyl)oxy)-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicene-2-carboxylic acid
SMILES
C[C@]12CC[C@@](C[C@H]1[C@@]3(CC=C4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)OC(=O)/C=C/C6=CC=C(C=C6)O)C)[C@]3(CC2)C)C)(C)C(=O)O
Molecular formula
C39H52O5
Molecular weight
600.84 g/mol
Monoisotopic mass
600.3815 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bryonia dioica Jacq. | root | - |
Hylands, P.J., Mansour, E.S.S., Oskoui, M.T. (1980). Bryocoumaric acid, a new triterpene from Bryonia dioica. J Chem Soc Perkin Trans I, 2933-2936 doi:10.1039/p19800002933
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