CHEBULANIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 102004757
Name
CHEBULANIN
IUPAC name
2-((3S,7S,8R,10S,11R,17S)-3,15,16,17-tetrahydroxy-8-(hydroxymethyl)-2,5,13-trioxo-10-((3,4,5-trihydroxybenzoyl)oxy)-2,3,3a,4,5,7,8,10,11,13-decahydro-7,11-methano[1,4,7]trioxacyclotridecino[11,10,9-de]chromen-4-yl)acetic acid
SMILES
C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@H]3[C@H]([C@@H]([C@H](O2)CO)OC(=O)C(C4[C@@H](C(=O)OC5=C4C(=CC(=C5O)O)C(=O)O3)O)CC(=O)O)O
Molecular formula
C27H24O19
Molecular weight
652.47 g/mol
Monoisotopic mass
652.0912 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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