Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CCCC(COC(C)=O)=CC2OC(=O)C(=C)C2C(OC(=O)C2(C)OC2C)C1O

InChIKey

InChIKey=PDLXQJMKWOQPKU-UHFFFAOYSA-N

Formula

C23H28O10

Mass

464.467

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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

Germacranolides and derivatives

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Germacranolide - Germacrane sesquiterpenoid - Sesquiterpenoid - Tetracarboxylic acid or derivatives - Beta-hydroxy acid - Gamma butyrolactone - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Hydroxy acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tetrahydrofuran - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxide - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as germacranolides and derivatives. These are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety.

External Descriptors

Not available

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