Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(OC(C)=O)C(=O)OC1C(OC=O)C(C(=C)C2(O)C(=O)CC(c3ccoc3)[C@@]12C)[C@@]1(C)C(CC(=O)O[C@@](C)(COC(C)=O)C1CC(=O)OC)OC(C)=O

InChIKey

InChIKey=NIDUTZAIIODVCH-KMYLBDCISA-N

Formula

C40H52O17

Mass

804.839

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