Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CCC3[C@@]4(C)C=CC(=O)OC(C)(C)[C@@H]4C(O)C(=O)[C@@]3(C)[C@]11O[C@@H]1CC2C1=COC=C1

InChIKey

InChIKey=KXIBKDPQXSWDJM-PPRAEOOXSA-N

Formula

C26H32O6

Mass

440.536

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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 - Naphthopyran - Fatty alcohol ester - Naphthalene - Fatty acid ester - Fatty acyl - Pyran - Oxane - Acyloin - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Furan - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - 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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