Structure Information
Structure

Compound Identification

SMILES

COC(=O)CC1C(C)(C)C(=O)CC2OC34CC(=O)OC(C5=COC=C5)C3(C)CCC(C4=C)C12C

InChIKey

InChIKey=YNMYHRYTRCKSMI-UHFFFAOYSA-N

Formula

C27H34O7

Mass

470.562

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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 - Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Furan - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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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