Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]1(O)OC[C@]23[C@H]4[C@@H](OC[C@]4([C@@H](C[C@@H]2OC(=O)C(\C)=C/C)OC(=O)\C=C\C2=CC=CC=C2)C(=O)OC)[C@@H](O)[C@@](C)([C@H]13)[C@@]12O[C@]1(C)[C@H]1C[C@@H]2O[C@@H]2OC=C[C@@]12O

InChIKey

InChIKey=PAIKRGQFDMVSAK-CLTOYVOGSA-N

Formula

C42H48O16

Mass

808.83

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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 - Tetracarboxylic acid or derivatives - Cinnamic acid ester - Cinnamic acid or derivatives - Furopyran - Styrene - Oxepane - Fatty acid ester - Fatty acyl - Benzenoid - Pyran - Oxane - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tetrahydrofuran - Tertiary alcohol - Furan - Dihydrofuran - Cyclic alcohol - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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