Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C(OC)=C(Br)C(CC2C(COC2=O)C(=O)C2=CC3=C(OCO3)C=C2)=C1

InChIKey

InChIKey=XSQOAAMIXVULFT-UHFFFAOYSA-N

Formula

C22H21BrO8

Mass

493.306

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Furanoid lignans

Subclass

Tetrahydrofuran lignans

Intermediate Tree Nodes

9,9'-epoxylignans

Direct Parent

Dibenzylbutyrolactone lignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzylbutyrolactone - Lignan lactone - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Tetrahydrofuran - Lactone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Carbonyl group - Organooxygen compound - Organobromide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutyrolactone lignans. These are lignan compounds containing a 3,4-dibenzyloxolan-2-one moiety.

External Descriptors

Not available

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