Structure Information
Structure

Compound Identification

SMILES

CC(C)[C+]1C=CC(C)=C2C(=CC3=[NH+]C(=CC4=CC(C)=C5C=C(C=CC(C)=C45)C(C)C)C=C3)C=C(C)C2=C1

InChIKey

InChIKey=PXWIWGIAXVYSLQ-UHFFFAOYSA-O

Formula

C36H39N

Mass

485.714

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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 - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen 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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