Structure Information
Structure

Compound Identification

SMILES

OC1=CC=C(C=C1)C1OC(C(C1C(=O)C1=C(O)C=C(O)C=C1)C(=O)C1=C(O)C=C(O)C=C1)C1=CC=C(O)C=C1

InChIKey

InChIKey=MGYYQYIFNBTUAB-UHFFFAOYSA-N

Formula

C30H24O9

Mass

528.513

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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 heteromonocyclic compounds

Substituents

7,7p-epoxylignan - 7,9p-epoxylignan - 9,9p-epoxylignan - Dibenzylbutane lignan skeleton - Alkyl-phenylketone - Phenylketone - Aryl ketone - Aryl alkyl ketone - Resorcinol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Tetrahydrofuran - Vinylogous acid - Ketone - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic 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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