Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1CC(OC(C)=O)C2(C)C3CCC4(C)C(C(=O)C5OC45C3(C)C(CC2C1(C)C)OC(C)=O)C1=COC=C1

InChIKey

InChIKey=AKPJXLBXDLSOFY-UHFFFAOYSA-N

Formula

C32H42O9

Mass

570.679

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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 - Steroid - Naphthopyranone - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Pyranone - Pyran - Oxane - Heteroaromatic compound - Furan - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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