Structure Information
Structure

Compound Identification

SMILES

CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C(=O)[C@H]4O[C@@]34[C@]12C)C1=CC(O)OC1=O

InChIKey

InChIKey=KMGFDEJJTURBCE-BTEWWXTDSA-N

Formula

C28H34O8

Mass

498.572

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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 - Steroid ester - 3-oxo-delta-1-steroid - Delta-1-steroid - Steroid - Naphthopyranone - Naphthopyran - Naphthalene - Cyclohexenone - Pyranone - 2-furanone - Dicarboxylic acid or derivatives - Oxane - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Cyclic ketone - Carboxylic acid ester - Lactone - Ketone - Hemiacetal - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen 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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