Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)OC1OCC23C(OC(C)=O)C(O)C(OC(C)=O)C1(C)C2CC(O)C1(C)C3C(=O)C(O)C2(C)C(CC3OC123)C1=COC=C1

InChIKey

InChIKey=QPMNKWBNXWESEZ-UHFFFAOYSA-N

Formula

C35H46O13

Mass

674.74

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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 - 17-furanylsteroid skeleton - Steroid ester - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Pyran - Oxane - Cyclic alcohol - Heteroaromatic compound - Furan - Carboxylic acid ester - Secondary alcohol - Ketone - Polyol - Acetal - Ether - Oxirane - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - 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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