Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]1(OC)OC[C@@]23[C@H]4[C@@H](OC[C@@]4([C@@H](C[C@@H]2OC(=O)C(\C)=C\C)OC(C)=O)C(=O)OC)[C@@H](O)[C@](C)([C@H]13)[C@]12O[C@@]1(C)[C@H]1C[C@@H]2O[C@@H]2OCC[C@]12OC

InChIKey

InChIKey=IHWJGAJTMXYDAR-JHAHSMHZSA-N

Formula

C37H50O16

Mass

750.791

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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

Aliphatic heteropolycyclic compounds

Substituents

Limonoid skeleton - Tetracarboxylic acid or derivatives - Furopyran - Fatty acid ester - Ketal - Oxepane - Oxane - Fatty acyl - Pyran - Cyclic alcohol - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Methyl ester - Secondary alcohol - Carboxylic acid ester - Oxacycle - Ether - Oxirane - Dialkyl ether - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Aliphatic 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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