Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(O[C@@H]([C@H]([C@@H]1C1=CC=CC=C1)C(=O)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=YBSLDCRTXFONFF-LBWLPYLASA-N

Formula

C31H25BrO4

Mass

541.441

Export to:

JSON SDF CSV

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

7,9'-epoxylignans

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

7,7p-epoxylignan - 7,9p-epoxylignan - 7,8p-epoxylignan - Dibenzylbutane lignan skeleton - Stilbene - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Methyl ester - Oxolane - Carboxylic acid ester - Ketone - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organobromide - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 7,9'-epoxylignans. These are lignans that contain the 7,9'-epoxylignan skeleton, which consists of a tetrahydrofuran that carries a phenyl group, a methyl group, and a benzyl group at the 2-, 3-, 4-position, respectively.

External Descriptors

Not available

Previous Back Next