Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H]2O[C@]34CC(=O)O[C@@H](C5=COC=C5)[C@]3(C)CC[C@@H](C4=C)[C@]12C

InChIKey

InChIKey=QSQFOIMEVMOMIJ-XTJNNKIQSA-N

Formula

C29H36O9

Mass

528.598

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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 - Tricarboxylic acid or derivatives - Delta valerolactone - Delta_valerolactone - Oxane - Furan - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Ether - Dialkyl ether - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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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