20-BETA-HYDROXYURSOLIC-ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 11590967
Name
20-BETA-HYDROXYURSOLIC-ACID
Also reported as
30-BETA-HYDROXYURSOLIC-ACID
IUPAC name
(1R,2S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-2,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
SMILES
C[C@@H]5[C@H]4C3=CC[C@@H]2[C@]1(CC[C@@H](C([C@@H]1CC[C@]2([C@@]3(CC[C@]4(CC[C@]5(C)O)C(=O)O)C)C)(C)C)O)C
Molecular formula
C30H48O4
Molecular weight
472.71 g/mol
Monoisotopic mass
472.3553 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Sambucus nigra L. | flower | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Sambucus nigra L. | flower | - |
Leung, A.Y., Encyclopedia of Common Natural Ingredients Used in Food, Drugs, and Cosmetics, John Wiley & Sons, New York, 1980.
|