Structure Information
Structure

Compound Identification

SMILES

C[C@H]1CCC2C(C[N+](C)(C)C(C)(C)C)C(=O)O[C@@]22[C@@H]3O[C@]3(C)CCC12

InChIKey

InChIKey=LGJGXFXXSYLKAY-SQHLZHKBSA-N

Formula

C21H36NO3

Mass

350.522

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Sesquiterpene lactones

Direct Parent

Cadinanolides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cadinanolide skeleton - Sesquiterpenoid - Oxepane - Gamma butyrolactone - Tetraalkylammonium salt - Oxolane - Quaternary ammonium salt - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic cation - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cadinanolides. These are sesquiterpene lactones based on 2-dioxonaphtho[4a,4-b]furan.

External Descriptors

Not available

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