Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)OC1CC(O)C23C4OCC5(C(O)CC2C1(C)C(O)O4)C3C(=O)C(O)C1(C)C52OC2CC1(O)C1=COC=C1

InChIKey

InChIKey=GSAWBDXYMSQMRT-UHFFFAOYSA-N

Formula

C31H40O12

Mass

604.649

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