1-BETA-2-ALPHA-3-BETA-19-ALPHA-TETRAHYDROXY-URS-12-EN-28-OIC-ACID
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Name
1-BETA-2-ALPHA-3-BETA-19-ALPHA-TETRAHYDROXY-URS-12-EN-28-OIC-ACID
IUPAC name
(1R,2R,4aS,6aS,6bR,10S,11S,12aR,12bS,14bR)-1,10,11,12-tetrahydroxy-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]5CC[C@@]4(CC[C@@]1(C(=CC[C@H]2[C@]1(CCC3[C@@]2(C([C@H]([C@H](C3(C)C)O)O)O)C)C)[C@H]4[C@]5(C)O)C)C(=O)O
Molecular formula
C30H48O6
Molecular weight
504.71 g/mol
Monoisotopic mass
504.3451 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Agrimonia eupatoria L. subsp. eupatoria | root | 240 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|