Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)OC1=C(O)C=CC(CC2C(COC2=O)C(O)C2=CC(OC(=O)CCC)=C(O)C=C2)=C1

InChIKey

InChIKey=RNUHAORDNZZZFP-UHFFFAOYSA-N

Formula

C26H30O9

Mass

486.517

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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 Phenol esters Tricarboxylic acids and derivatives Phenoxy compounds Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Gamma butyrolactones Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Dibenzylbutyrolactone - Lignan lactone - Phenol ester - Tricarboxylic acid or derivatives - Phenoxy compound - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Gamma butyrolactone - Fatty acyl - Benzenoid - Oxolane - Lactone - Carboxylic acid ester - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic alcohol - Carbonyl group - 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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