Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1CC(O)C23COC(O)C1(C)C2CC(O)C1(C)C3C(=O)CC2(C)C(CC3OC123)C1=COC=C1

InChIKey

InChIKey=DTKVYFQSFHHKAR-UHFFFAOYSA-N

Formula

C28H36O9

Mass

516.587

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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 - 17-furanylsteroid skeleton - Steroid ester - Naphthopyran - Naphthalene - Pyran - Oxane - Cyclic alcohol - Heteroaromatic compound - Furan - Carboxylic acid ester - Hemiacetal - Secondary alcohol - Ketone - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - 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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