Structure Information
Structure

Compound Identification

SMILES

CCOC1=C[C@]2(C)C3CC[C@@]4(C)[C@@H](CC=C4[C@]3(C)[C@H](O)CC2C(C)(C)C1=O)C1=COC=C1

InChIKey

InChIKey=BZOHFZWRZLRHFA-CKHJIHJQSA-N

Formula

C28H38O4

Mass

438.608

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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 - 3-oxo-delta-1-steroid - 3-oxosteroid - 7-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-1-steroid - Steroid - Cyclohexenone - Heteroaromatic compound - Cyclic alcohol - Furan - Cyclic ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Carbonyl group - Alcohol - Hydrocarbon derivative - Organic oxide - 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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