Structure Information
Structure

Compound Identification

SMILES

OC(C1COC(=O)C1CC1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=CNACBLYXOGJIDY-UHFFFAOYSA-N

Formula

C18H18O3

Mass

282.339

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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

Lignan lactones Gamma butyrolactones Benzene and substituted derivatives Tetrahydrofurans Secondary alcohols Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dibenzylbutyrolactone - Lignan lactone - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Tetrahydrofuran - Carboxylic acid ester - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Aromatic alcohol - Aromatic heteromonocyclic 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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