Structure Information
Structure

Compound Identification

SMILES

CC1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)C13C[C@@](COC(=O)C4=CC=C(Br)C=C4)(C[C@@H]4O[C@]214)C=C3

InChIKey

InChIKey=XRJFRXRBPQBNOI-UWNSIUDESA-N

Formula

C27H33BrO4

Mass

501.461

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Benzoic acid esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoate ester - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoyl - Bromobenzene - Halobenzene - Oxepane - Aryl bromide - Aryl halide - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Oxirane - Dialkyl ether - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.

External Descriptors

Not available

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