Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1[C@H](O[C@@](\C=C(/C#N)C2=CC=C(Cl)C=C2)([C@H]1C(=O)OC)C1=CC=CC=C1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=RZLFMCOYGNGJIM-HZHRPXOBSA-N

Formula

C29H23Cl2NO5

Mass

536.41

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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

Not available

Direct Parent

7,7'-epoxylignans

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

7,7p-epoxylignan - Dibenzylbutane lignan skeleton - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Styrene - Chlorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Methyl ester - Oxolane - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton.

External Descriptors

Not available

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