Structure Information
Structure

Compound Identification

SMILES

CC=C(C)C(=O)OC1C2OCC3(C)C2C(C)(C(CC3OC(C)=O)OC(C)=O)C2CC(=O)OC3CC(C(C)=C3C12C)c1ccoc1

InChIKey

InChIKey=CSXRQWINVNDPIA-UHFFFAOYSA-N

Formula

C35H44O10

Mass

624.727

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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 - Tetracarboxylic acid or derivatives - Caprolactone - Fatty acid ester - Oxepane - Fatty acyl - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Heteroaromatic compound - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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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