Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1CC2C(C3OC(=O)C(=C)C3C(CC2=C)OC(=O)C(C)(O)CCl)C1(O)CO

InChIKey

InChIKey=BQZOLDKICRHJKZ-UHFFFAOYSA-N

Formula

C21H27ClO9

Mass

458.89

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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 - Tricarboxylic acid or derivatives - Gamma butyrolactone - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Chlorohydrin - Halohydrin - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organochloride - Organooxygen compound - Primary 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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