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Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1[C@@H](CBr)[C@@H]2C(=O)O[C@@]1(C1=CC=CC=C1)C1=CC=CC=C21

InChIKey

InChIKey=XYOPUSYNGHFKSC-FORWCCJISA-N

Formula

C20H17BrO4

Mass

401.256

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Lignan lactones

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Lignan lactones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Lignan lactone - 1-aryltetralin lignan - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Benzopyran - Isochromane - Tetralin - 2-benzopyran - Delta valerolactone - Delta_valerolactone - Oxane - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Alkyl bromide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as lignan lactones. These are lignans that contain a lactone moiety. They include 1-aryltetralin lactones, dibenzylbutyrolactone lignans, and podophyllotoxins, among others.

External Descriptors

Not available

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