Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](OC(C)=O)[C@H]1[C@]2(C)C[C@]3(O)[C@](O)([C@H]2OC(C)=O)[C@@H](OC(=O)C(C)C)[C@]24OC5(C)O[C@H]([C@H](O)[C@]67C[C@]26[C@@H](OC(C)=O)C(=O)O[C@H]7c2ccoc2)[C@]4(O5)[C@]13C

InChIKey

InChIKey=QTCZMZUMCQYMIT-GTDPUQQRSA-N

Formula

C39H46O19

Mass

818.778

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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

Mexicanolide - Limonoid skeleton - Prostaglandin skeleton - Eicosanoid - Hexacarboxylic acid or derivatives - Naphthopyran - Naphthalene - Caprolactone - Ortho ester - Delta_valerolactone - Carboxylic acid orthoester - Oxepane - Delta valerolactone - Fatty acyl - Pyran - Meta-dioxane - Oxane - Meta-dioxolane - Cyclic alcohol - Heteroaromatic compound - Furan - Methyl ester - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Orthocarboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Polyol - Organic oxide - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - 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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