CHEBULAGIC ACID
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 442674
Name
CHEBULAGIC ACID
IUPAC name
2-((53S,53aS,54S,57R,58R,510S,511R,517S)-14,15,16,24,25,26,53,515,516-nonahydroxy-52,55,513,3,8-pentaoxo-510-((3,4,5-trihydroxybenzoyl)oxy)-52,53,53a,54,55,57,58,510,511,513-decahydro-4,7-dioxa-5(17,8)-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromena-1,2(1,2)-dibenzenacyclooctaphane-54-yl)acetic acid
SMILES
C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5[C@H]([C@@H](C(=O)O3)CC(=O)O)[C@@H](C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O
Molecular formula
C41H30O27
Molecular weight
954.66 g/mol
Monoisotopic mass
954.0974 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Euphorbia maculata L. | leaf | - |
Amakura, Y., Kawada, K., Hatano, T., Agata, I., Sugaya, T., Nishibe, S., Okuda, T., Yoshida, T. (1997). Four new hydrolyzable tannins and an acylated flavonol glycoside from Euphorbia maculata. Can J Chem, 75(6), 727-733 doi:10.1139/v97-088
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