Structure Information
Structure

Compound Identification

SMILES

COC(=O)C12OCC3(C1C1(C)C4C(OCC4(C(CC1OC(=O)C(\C)=C\C)OC(C)=O)C(=O)OC)C3O)C1(O)C3CC(C1(C)O2)C1(O)C=COC1O3

InChIKey

InChIKey=TWGPOIQWWGNBKW-OVCLIPMQSA-N

Formula

C35H44O16

Mass

720.721

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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 - Naphthopyran - Tetracarboxylic acid or derivatives - Naphthalene - Furopyran - 1,3-dioxepane - Ketal - Dioxepane - Fatty acid ester - Oxepane - Fatty acyl - Oxane - Pyran - Cyclic alcohol - Dihydrofuran - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Acetal - Dialkyl ether - Carboxylic acid derivative - Polyol - Alcohol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - 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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