CARPINUSIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5481429
Name
CARPINUSIN
IUPAC name
(57S,58S,510R,511R,519R)-14,15,16,24,25,26,52,53,516,517,517,8-dodecahydroxy-55,513,515,3-tetraoxo-55,57,58,510,511,513,515,516,517,517a-decahydro-4,7-dioxa-5(8,10)-1,16-epoxy-7,11-methanodibenzo[i,k][1,4,7]trioxacyclotridecina-1,2(1,2)-dibenzenacyclooctaphane-519-yl 3,4,5-trihydroxybenzoate
SMILES
C1[C@@H]2[C@@H]3[C@H]([C@@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(O1)O)O)O)O)O)O)O)OC(=O)C6=CC(=C(C7=C6C8C(=CC(=O)C(C8(O)O)(O7)O)C(=O)O3)O)O)OC(=O)C9=CC(=C(C(=C9)O)O)O
Molecular formula
C41H30O27
Molecular weight
954.66 g/mol
Monoisotopic mass
954.0974 Da
Pathway:
Superclass:
Class:
Glycoside:
No
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Euphorbia helioscopia L. subsp. helioscopia | - | - |
Lee, S.H., Tanaka, T., Nonaka, G.I., Nishioka, I. (1990). Tannins and related compounds. xcv. isolation and characterization of helioscopinins and helioscopins, four new hydrolyzable tannnins from Euphorbia helioscopia L. Chem Pharm Bull, 38(6), 1518-1523 doi:10.1248/cpb.38.1518
|