Structure Information
Structure

Compound Identification

SMILES

CC1CC2OC(=O)C3(OC4CC5C(CC(C)C4(O)C=C3C(C)=O)OC(=O)C5=C)C2CC2OC12C=CC(C)=O

InChIKey

InChIKey=SWQFFFCGVOKUSC-UHFFFAOYSA-N

Formula

C29H34O9

Mass

526.582

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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

Xanthanolides

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Xanthanolide-skeleton - Sesquiterpenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyran - Acryloyl-group - Cyclic alcohol - Enone - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Ether - Oxirane - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alcohol - Organooxygen compound - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthanolides. These are sesquiterpenoids with a structure based on the xanthanolide skeleton consistsing of a cycloheptane ring usually attached to a four-carbon chain (at carbon 1 ) and a methyl group (at carbon 10), and fused to a five-member lactone ring (sharing carbons 7 and 8). The lactone ring can be conjugated with a methyl or methylene group at position 11.

External Descriptors

Not available

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