Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1=C2C(OC1=O)C1OC1(C)C1OC1C=C(COC(=O)C=C(C)C)C(OC(C)=O)C2OC(=O)C(C)=C

InChIKey

InChIKey=PDSWJCAATHGXEO-UHFFFAOYSA-N

Formula

C28H32O12

Mass

560.552

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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 - Pentacarboxylic acid or derivatives - Sesquiterpenoid - Fatty acid ester - 2-furanone - Fatty acyl - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Lactone - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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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