Structure Information
Structure

Compound Identification

SMILES

CO[C@@](C(=O)O[C@H]1[C@H]2CC(C)(C)C[C@H]2C2=C(C)C(=O)C[C@]12C)(C1=CC=CC=C1)C(F)(F)F

InChIKey

InChIKey=WQSIDAUVNPGRMZ-QKKDHKMWSA-N

Formula

C25H29F3O4

Mass

450.498

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Sesquiterpenoids

Intermediate Tree Nodes

Triquinane sesquiterpenoids

Direct Parent

Linear triquinanes

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Linear triquinane sesquiterpenoid - Benzylether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ketone - Cyclic ketone - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear triquinanes. These are triquinane with a structure based on a [6.3.0.0^2,6] undecane carbon skeleton.

External Descriptors

Not available

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