Structure Information
Structure

Compound Identification

SMILES

CC1=CC[C@@H]2[C@H]1[C@H]1OC(=O)[C@](C)(Br)[C@@H]1CCC2=C

InChIKey

InChIKey=RHNRVYSSRXIIBG-WHRXGGIHSA-N

Formula

C15H19BrO2

Mass

311.219

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Sesquiterpene lactones

Direct Parent

Guaianolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Gamma butyrolactone - Oxolane - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organobromide - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.

External Descriptors

Not available

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