Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@H]1[C@@H]2O[C@H]3C[C@@H](C4=COC=C4)[C@]4(C)CC[C@@H](C2(C)C34)[C@@]2(C)C=CC(=O)C(C)(C)[C@H]12

InChIKey

InChIKey=JHEAMHIBUPEMCC-JANGTUOISA-N

Formula

C28H36O5

Mass

452.591

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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 - Naphthofuran - Cyclohexenone - Heteroaromatic compound - Tetrahydrofuran - Furan - Cyclic ketone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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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