Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](OC(C)=O)[C@H]1[C@]2(C)C[C@@]3(O)[C@]1(C)[C@]14OC5(C)O[C@H]([C@@]3(OC(=O)C(C)C)[C@H]2OC(C)=O)[C@]1(O5)[C@@]12C[C@]1([C@@H](OC(C)=O)[C@H]4O)[C@@H](OC(=O)[C@@H]2OC(C)=O)c1ccoc1

InChIKey

InChIKey=WBJPQNKIGXGLGC-CFCJSVOXSA-N

Formula

C41H48O20

Mass

860.815

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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 - Mexicanolide - Prostaglandin skeleton - Eicosanoid - Naphthopyran - Naphthalene - Caprolactone - Carboxylic acid orthoester - Delta valerolactone - Delta_valerolactone - Oxepane - Ortho ester - Meta-dioxane - Fatty acyl - Pyran - Oxane - Meta-dioxolane - Cyclic alcohol - Heteroaromatic compound - Furan - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Orthocarboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Hydrocarbon derivative - 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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