Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(O)C(=O)O[C@@H]1[C@H](OC=O)C(C(=C)C2(O)C(=O)C[C@@H](C3=COC=C3)[C@]12C)[C@@]1(C)[C@@H](CC(=O)O[C@](C)(COC(C)=O)C1CC(=O)OC)OC(C)=O

InChIKey

InChIKey=LRLMYQFHTXHFRH-NMIAQVADSA-N

Formula

C38H50O16

Mass

762.802

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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 - Hexacarboxylic acid or derivatives - Caprolactone - Fatty acid ester - Oxepane - Monosaccharide - Fatty acyl - Cyclic alcohol - Furan - Heteroaromatic compound - Tertiary alcohol - Methyl ester - Lactone - Ketone - Carboxylic acid ester - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Carbonyl group - 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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