Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C[C@H](O)[C@@]23COC(O)[C@@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)C1=COC=C1

InChIKey

InChIKey=PUNWVWPDKCBXSA-JPFKMUFWSA-N

Formula

C28H36O10

Mass

532.586

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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 - 17-furanylsteroid skeleton - Thromboxane - Steroid ester - Eicosanoid - Steroid - Naphthopyran - Fatty alcohol ester - Secoiridoid-skeleton - Naphthalene - Fatty acyl - Pyran - Oxane - Acyloin - Heteroaromatic compound - Furan - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - 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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