Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1(O)OCC23C4C(OCC4(C(O)CC2OC(=O)C(C)=CC)C(=O)OC)C(O)C(C)(C13)C12OC1(C)C1CC2OC2OC=CC12O

InChIKey

InChIKey=GLAJZJRWMNNYEH-UHFFFAOYSA-N

Formula

C33H42O15

Mass

678.684

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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

Aliphatic heteropolycyclic compounds

Substituents

Limonoid skeleton - Furopyran - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Fatty acid ester - Oxepane - Hydroxy acid - Fatty acyl - Oxane - Pyran - Cyclic alcohol - Dihydrofuran - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tertiary alcohol - Tetrahydrofuran - Hemiacetal - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Oxirane - Carboxylic acid derivative - Dialkyl ether - Polyol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organooxygen compound - Alcohol - Organic oxide - Aliphatic 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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