TORMENTIC-ACID-28-BETA-D-GLUCOPYRANOSYL-ESTER
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 3013839
Name
TORMENTIC-ACID-28-BETA-D-GLUCOPYRANOSYL-ESTER
IUPAC name
(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,2R,4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-1,10,11-trihydroxy-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)-carboxylate
SMILES
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)OC6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Molecular formula
C36H58O10
Molecular weight
650.85 g/mol
Monoisotopic mass
650.4030 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Agrimonia eupatoria L. subsp. eupatoria | aerial parts | 19 ppm |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|