Structure Information
Structure

Compound Identification

SMILES

[H][C@]12O[C@@]11[C@@]([H])([C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@]([H])(C[C@@]1(C)O)OC(C)=O)[C@@](C)(O)[C@]2([H])Cl

InChIKey

InChIKey=FCQNUSQUNQQROJ-JQYQDLBDSA-N

Formula

C17H21ClO7

Mass

372.8

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