Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1C2(C)C(OC3CC(C(C)=C23)c2ccoc2)C(OC(C)=O)C2C(C)(C=O)C(O)CC(OC(=O)C(C)=C)C12C

InChIKey

InChIKey=GIEKJOCOTTXNQW-UHFFFAOYSA-N

Formula

C33H42O10

Mass

598.689

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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 - Tricarboxylic acid or derivatives - Cyclic alcohol - Furan - Tetrahydrofuran - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Carbonyl group - Alcohol - 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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