Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)[C@@]1(CC2=CC=CC=C2)O[C@H]([C@H]([C@@H]1C)C(=O)N1CCOC1=O)C1=CC2=CC=CC=C2C=C1

InChIKey

InChIKey=HGTOMTDDHCJWOK-RSCVVWNVSA-N

Formula

C29H29NO6

Mass

487.552

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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 heteropolycyclic compounds

Substituents

7,8p-epoxylignan - Naphthalene - Fatty acid ester - Monocyclic benzene moiety - Oxazolidinone - Benzenoid - Fatty acyl - Dicarboximide - Oxazolidine - Oxolane - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic 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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