BETULINIC-ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 64971
Name
BETULINIC-ACID
IUPAC name
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid
SMILES
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
Molecular formula
C30H48O3
Molecular weight
456.71 g/mol
Monoisotopic mass
456.3603 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Juglans regia L. | bark | 40 ppm |
Jim Duke's personal files.
|
| Morus alba L. | bark | 1800 ppm |
Jim Duke's personal files.
|
| Morus alba L. | root | 150 ppm |
Jim Duke's personal files.
|
| Prunella grandiflora (L.) Scholler | aerial parts | 3 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Prunella grandiflora (L.) Scholler | root | 738 ppm |
Duke, J. A. Writeups or information summaries on approximately 2,000 economic plants, USDA, ARS, Beltsville, MD 20705.
|
| Prunella vulgaris L. subsp. vulgaris | aerial parts | 3 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 | root | 738 ppm |
Duke, J. A. Writeups or information summaries on approximately 2,000 economic plants, USDA, ARS, Beltsville, MD 20705.
|
| Sambucus nigra L. | bark | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|