Structure Information
Structure

Compound Identification

SMILES

COC1OCC(CC2=CC3=C(OCO3)C=C2)C1CC1=CC(OC)=C(OC)C(OC)=C1

InChIKey

InChIKey=LMMVWMMBIFKQPI-UHFFFAOYSA-N

Formula

C23H28O7

Mass

416.47

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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

9,9'-epoxylignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

9,9p-epoxylignan - Benzodioxole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Oxolane - Acetal - Ether - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 9,9'-epoxylignans. These are lignans with a structure based on the 9,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries two benzyl groups at the 3- and 4-positions. Additionally they are oxygenated at the 2-position to form dibenzylbutyrolactones (oxo group) or a dibenzylbutyrolactols (hydroxyl group).

External Descriptors

Not available

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