Structure Information
Structure

Compound Identification

SMILES

CCC(C)C(=O)O[C@@H]1C[C@]2(C)[C@@H](OC(=O)CC22OC3(C)OC11[C@]4(C)[C@@H](CC(=O)OC)[C@@]5(C)C[C@]4(O)[C@](O)([C@H]5OC(=O)[C@]4(C)O[C@H]4C)[C@@H](OC(=O)C(C)C)C21O3)C1=COC=C1

InChIKey

InChIKey=BUVRFGBECZFCRL-QKTIAOELSA-N

Formula

C43H56O17

Mass

844.904

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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 - Mexicanolide - Prostaglandin skeleton - Eicosanoid - Pentacarboxylic acid or derivatives - Naphthopyran - Naphthalene - Carboxylic acid orthoester - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Ortho ester - Meta-dioxane - Fatty acyl - Pyran - Oxirane carboxylic acid or derivatives - Oxirane carboxylic acid - Oxane - Heteroaromatic compound - Meta-dioxolane - Cyclic alcohol - Methyl ester - Tertiary alcohol - Furan - Orthocarboxylic acid derivative - Lactone - 1,2-diol - Carboxylic acid ester - Ether - Carboxylic acid derivative - Oxirane - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - 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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