3-O-ACETYLURSOLIC-ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6475119
Name
3-O-ACETYLURSOLIC-ACID
IUPAC name
(1S,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-acetoxy-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]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
Molecular formula
C32H50O4
Molecular weight
498.75 g/mol
Monoisotopic mass
498.3709 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Prunella grandiflora (L.) Scholler | aerial parts | 4 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Prunella vulgaris L. subsp. vulgaris | aerial parts | 4 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|