Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C33OC3C[C@]2(C)[C@@]1(Br)C(=O)CO

InChIKey

InChIKey=HEKUKYICGJFGFQ-SYMAUWSSSA-N

Formula

C22H27BrO4

Mass

435.358

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Monoterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Iridoids and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

11-noriridane monoterpenoid - Oxepane - Alpha-haloketone - Alpha-hydroxy ketone - Cyclic ketone - Ketone - Dialkyl ether - Oxirane - Oxacycle - Organoheterocyclic compound - Ether - Alcohol - Organohalogen compound - Organobromide - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl bromide - Aldehyde - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as iridoids and derivatives. These are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open.

External Descriptors

Not available

Previous Back Next