Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(=C1)C1(OC(C(O)=O)(C2=CC(C)=CC=C2)C(C(O)=O)(C2=CC(C)=CC=C2)C1(C(O)=O)C1=CC(C)=CC=C1)C(O)=O

InChIKey

InChIKey=AKJISKXINMETDQ-UHFFFAOYSA-N

Formula

C36H32O9

Mass

608.643

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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

7,8'-epoxylignans

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

7,7p-epoxylignan - 7,8p-epoxylignan - Dibenzylbutane lignan skeleton - Stilbene - Tetracarboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Benzenoid - Oxolane - Oxacycle - Ether - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 7,8'-epoxylignans. These are lignans that contain either isomer of the 7,8'-epoxylignan skeleton. The first isomer consists of a tetrahydrofuran that carries a phenyl group at the 2- and the 4-positions, as well as one a methyl group at the 3- and 5-positions. The second isomer consists of a tetrahydrofuran that carries a benzyl group, a phenyl group, and a methyl group at the 2-, 4-, 5-position, respectively.

External Descriptors

Not available

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