Structure Information
Structure

Compound Identification

SMILES

CCO[C@@]1(C)OC(C)(C)[C@@H]2CC(=O)[C@]3(C)[C@H]([C@@H](O)C[C@@]4(C)[C@@H](OC(=O)[C@H]5O[C@@]345)C3=COC=C3)[C@@]12C

InChIKey

InChIKey=OERXTQGJPXKXCK-RKPRJSJTSA-N

Formula

C27H36O8

Mass

488.577

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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 - Steroid lactone - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 2-oxosteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - Steroid - Naphthopyran - Naphthalene - Delta valerolactone - Dioxepane - Delta_valerolactone - 1,4-dioxepane - Ketal - Pyran - Oxane - Tetrahydrofuran - Cyclic alcohol - Heteroaromatic compound - Furan - Carboxylic acid ester - Secondary alcohol - Ketone - Lactone - Ether - Oxirane - Dialkyl ether - Oxacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - 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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