Structure Information
Structure

Compound Identification

SMILES

[I-].CC(C)C1=CC2=C(C)C=CC2=C(CC(C)(C)[N+]2(C)CCCC2)C=C1

InChIKey

InChIKey=XWKXDTYTAODOBD-UHFFFAOYSA-M

Formula

C23H34IN

Mass

451.436

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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

Not available

Direct Parent

Guaianes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Guaiane sesquiterpenoid - Azulene - Aralkylamine - N-alkylpyrrolidine - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianes. These are sesquiterpenoids with a structure based on the guaiane skeleton. Guaiane is a bicyclic compound consisting of a decahydroazulene moiety, substituted with two methyl groups and a 1-methylethyl group at the 1-, 4-, and 7-position, respectively.

External Descriptors

Not available

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