Structure Information
Structure

Compound Identification

SMILES

CC(C)C(=O)OC1C2OC[C@@]3(C)C2[C@](C)(C(CC3OC(C)=O)OC(C)=O)[C@@H](COC(C)=O)[C@]1(C)C1=C(C)[C@@H](C[C@@H]1OC(C)=O)C1=COC=C1

InChIKey

InChIKey=SNBUZIGJDMHKER-SXCDPERMSA-N

Formula

C37H50O12

Mass

686.795

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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 - Pentacarboxylic acid or derivatives - Heteroaromatic compound - Tetrahydrofuran - Furan - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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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