Structure Information
Structure

Compound Identification

SMILES

C\C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)\C(=C\C3=CC(=CC=C3)C(F)(F)F)[C@@H]2CC1

InChIKey

InChIKey=LVOIMJRFMSIUTQ-OPEWPUPOSA-N

Formula

C22H23F3O3

Mass

392.418

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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

Germacranolides and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Trifluoromethylbenzene - Monocyclic benzene moiety - Gamma butyrolactone - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Oxolane - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Hydrocarbon derivative - Carbonyl group - Alkyl fluoride - Organooxygen compound - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.

External Descriptors

Not available

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