Structure Information
Structure

Compound Identification

SMILES

CCC1(C(C2=CC=C(Br)C=C2)C1(C(=O)OC)C(=O)OC)C(=O)C1=CC=CC=C1

InChIKey

InChIKey=CSUOQOAYHSWOFO-UHFFFAOYSA-N

Formula

C22H21BrO5

Mass

445.309

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzylbutane lignans

Alternative Parents

Alkyl-phenylketones Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Dicarboxylic acids and derivatives Cyclopropanecarboxylic acids and derivatives Aryl bromides Methyl esters Organobromides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Dibenzylbutane lignan skeleton - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Gamma-keto acid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Cyclopropanecarboxylic acid or derivatives - Benzenoid - Dicarboxylic acid or derivatives - Keto acid - Methyl ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.

External Descriptors

Not available

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