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=CC=C(Cl)C=C1

InChIKey

InChIKey=KTUVYBZITOHMRU-NQOWGVLHSA-N

Formula

C25H26ClNO6

Mass

471.93

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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

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