ELAEOCARPUSIN
Drag to rotate, scroll to zoom
Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21636130
Name
ELAEOCARPUSIN
IUPAC name
(1a'R,1a1'R,2'R,3R,3aS,4a'R,6S,6aR,7'R,8'R,10'S,11'R,17'S)-1a',2',3a,4',4',5',5',6,6',6',15',16'-dodecahydroxy-2,3',3',5',8',13'-hexaoxo-3a,5,6,6a-tetrahydro-2H-spiro[furo[3,2-b]furan-3,18'-51,56,59,512,519,4,7-heptaoxa-5(17,8)-1,6,9,12,19-pentaoxa-2,4a-ethano-7,11-methanocyclotrideca[def]fluorena-1,2(1,2)-dibenzenacyclooctaphan]-10'-yl 3,4,5-trihydroxybenzoate
SMILES
c1c(cc(c(c1O)O)O)C(=O)O[C@H]2[C@H]3[C@@H]4[C@@H]([C@H](O2)COC(=O)c5cc(c(c(c5-c6c(cc(c(c6O)O)O)C(=O)O4)O)O)O)OC(=O)[C@]78CC(=O)[C@]([C@]9([C@@H]7c1c(cc(c(c1O9)O)O)C(=O)O3)O)(O[C@]81C(=O)O[C@H]2[C@@]1(OC[C@@H]2O)O)O
Molecular formula
C47H34O32
Molecular weight
1,110.76 g/mol
Monoisotopic mass
1,110.1033 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
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
|