Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC1CC(OC(C)=O)[C@@]2(C)C3C(OC[C@]13C)C(OC(=O)\C=C\C1=CC=CC=C1)[C@]1(C)C2CC(O)OC2CC(C(C)=C12)C1=COC=C1

InChIKey

InChIKey=YVGHEOPJZLXYKH-IKXCFMKRSA-N

Formula

C39H46O10

Mass

674.787

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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 - Cinnamic acid ester - Cinnamic acid or derivatives - Tricarboxylic acid or derivatives - Styrene - Oxepane - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrahydrofuran - Furan - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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