Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)[C@@]33O[C@H]3C[C@]12C

InChIKey

InChIKey=RRHFZMJQCAJVNE-BLZOHXOJSA-N

Formula

C23H26BrFO6

Mass

497.357

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Oxepanes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Oxepanes

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Alpha-acyloxy ketone - Oxepane - Alpha-haloketone - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Cyclic ketone - Ketone - Carboxylic acid ester - Oxacycle - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxepanes. These are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms.

External Descriptors

Not available

Previous Back Next