Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1CC2C(C)(C)C(=O)C=CC2(C)C2CCC3(C)C(CC(=O)C3C12C)C1=COC=C1

InChIKey

InChIKey=YLKHFXUUZIHXPY-UHFFFAOYSA-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 - 17-furanylsteroid skeleton - Steroid ester - Androgen-skeleton - Androstane-skeleton - 3-oxo-delta-1-steroid - 3-oxosteroid - Oxosteroid - 15-oxosteroid - Delta-1-steroid - Steroid - Cyclohexenone - Furan - Heteroaromatic compound - Ketone - Cyclic ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxygen 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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