Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1C2(C)C(OC3CC(C(C)=C23)C2=COC=C2)C2OCC3(C)C=CC(=O)C1(C)C23

InChIKey

InChIKey=CWGBIWRWBCYASK-UHFFFAOYSA-N

Formula

C27H32O6

Mass

452.547

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Triterpenoids

Intermediate Tree Nodes

Not available

Direct Parent

Limonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Limonoid skeleton - Naphthofuran - Cyclohexenone - Furan - Heteroaromatic compound - Methyl ester - Tetrahydrofuran - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as limonoids. These are highly oxygenated, modified terpenoids with a prototypical structure either containing or derived from a precursor with a 4,4,8-trimethyl-17-furanylsteroid skeleton. All naturally occurring citrus limonoids contain a furan ring attached to the D-ring, at C-17, as well as oxygen containing functional groups at C-3, C-4, C-7, C-16 and C-17.

External Descriptors

Not available

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