Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)[C@]12O[C@@H]3[C@H]4[C@@H]5[C@H]([C@@H]14)[C@H]1C[C@@H]5[C@@H]3[C@@H]21

InChIKey

InChIKey=HTTSLVFOIBKDFR-KTECENLISA-N

Formula

C13H12F2O3

Mass

254.233

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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

Aliphatic heteropolycyclic compounds

Substituents

Linear triquinane sesquiterpenoid - Oxepane - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Oxolane - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Aliphatic heteropolycyclic 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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