2-ALPHA-3-ALPHA-DIHYDROXYURS-12-EN-28-OIC-ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 6918774
Name
2-ALPHA-3-ALPHA-DIHYDROXYURS-12-EN-28-OIC-ACID
Also reported as
2-ALPHA-HYDROXYURSOLIC-ACID
IUPAC name
(1S,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-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
C1[C@]2([C@H](C([C@H]([C@@H]1O)O)(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4[C@H]([C@@H](CC5)C)C)C(=O)O)C)C)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 |
|---|---|---|---|
| Glechoma hederacea L. | - | 20 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 | aerial parts | 24 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 | 24 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|