Structure Information
Structure

Compound Identification

SMILES

CC1CC2=C(CC3C1C(CC3(C)O)OC(C)=O)C(=C)C(=O)O2

InChIKey

InChIKey=OCAVVNZLQKQWSL-UHFFFAOYSA-N

Formula

C17H22O5

Mass

306.358

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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

Guaianolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Guaianolide-skeleton - Guaiane sesquiterpenoid - Sesquiterpenoid - Dicarboxylic acid or derivatives - Cyclic alcohol - Dihydrofuran - Enol ester - Tertiary alcohol - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as guaianolides and derivatives. These are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative.

External Descriptors

Not available

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