Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C(OC)=C(Cl)C(C[C@@H]2[C@@H](CC3=CC4=C(OCO4)C=C3)COC2=O)=C1Cl

InChIKey

InChIKey=HBZPXIHJRZLWRR-NWDGAFQWSA-N

Formula

C21H20Cl2O7

Mass

455.28

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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 - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - Benzodioxole - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Methoxybenzene - 3-halophenol - 3-chlorophenol - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Gamma butyrolactone - Oxolane - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Acetal - Oxacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organochloride - 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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