Structure Information
Structure

Compound Identification

SMILES

CC(C)C(=O)OC1OCC23C(O)C(OC(C)=O)C(OC(C)=O)C1(C)C2CC(O)C1(C)C3C(=O)CC2(C)C(CC3OC123)C1=COC=C1

InChIKey

InChIKey=RYOHUDAYJZTZOF-UHFFFAOYSA-N

Formula

C34H44O12

Mass

644.714

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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 - Steroid ester - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Pyran - Oxane - Cyclic alcohol - Furan - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Ketone - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Oxirane - Ether - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - 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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