Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=CC=C2)C=CC(C[C@@H]2[C@H]([C@H](O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)OC2=O)C(SC2=CC=CC=C2)(SC2=CC=CC=C2)C2=CC3=C(OCO3)C=C2)=C1

InChIKey

InChIKey=PVHMGDKLRFGITJ-IFIUSBFESA-N

Formula

C49H52O7S2

Mass

817.07

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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 - Terpene lactone - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - P-menthane monoterpenoid - Benzodioxole - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Thiophenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Dithioketal - Monocyclic benzene moiety - Benzenoid - Gamma butyrolactone - Thioacetal - Oxolane - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - 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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