(+)-GALLOCATECHIN-(4-ALPHA-8)-CATECHIN

Structure

2D structure of (+)-GALLOCATECHIN-(4-ALPHA-8)-CATECHIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js.

Names and identifiers

Name

(+)-GALLOCATECHIN-(4-ALPHA-8)-CATECHIN

IUPAC name

(2R,2'R,3S,3'S,4S,8'R)-2'-(3,4-dihydroxycyclohexyl)-2-(3,4,5-trihydroxycyclohexyl)hexadecahydro-2H,2'H-[4,8'-bichromene]-3,3',5,5',7,7'-hexaol

SMILES

C1CC(C(CC1[C@@H]2[C@H](CC3C(CC(C(C3O2)[C@@H]4C5C(CC(CC5O[C@@H]([C@H]4O)C6CC(C(C(C6)O)O)O)O)O)O)O)O)O)O

General information

Molecular formula

C30H50O13

Molecular weight

618.72 g/mol

Monoisotopic mass

618.3251 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Corylus avellana L. bark -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
Corylus avellana L. leaf -
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.