Structure Information
Structure

Compound Identification

SMILES

C[C@@]12CCC3[C@@]4(C)C=CC(=O)C(C)(C)C4C[C@@H](OC(=O)NC4=CC=CC=C4)[C@@]3(C)C1=CC[C@H]2C1=COC=C1

InChIKey

InChIKey=RGASQLBXPOBTJZ-ZDARKNKVSA-N

Formula

C33H39NO4

Mass

513.678

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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 - Oxosteroid - Delta-1-steroid - Steroid - Phenylcarbamic acid ester - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Carbamic acid ester - Carbonic acid derivative - Ketone - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen 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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