Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(/C)C(C)(C)O)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O

InChIKey

InChIKey=KCVFVYXSNLKEHU-UIJGDLPGSA-N

Formula

C28H36O12

Mass

564.584

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Prenol lipids

Subclass

Terpene lactones

Intermediate Tree Nodes

Not available

Direct Parent

Quassinoids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Beta-hydroxy acid - Delta valerolactone - Cyclohexenone - Fatty acid ester - Delta_valerolactone - Oxepane - Hydroxy acid - Fatty acyl - Oxane - Pyran - Tetrahydrofuran - Tertiary alcohol - Methyl ester - Cyclic alcohol - Furan - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Lactone - Secondary alcohol - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Dialkyl ether - Enol - Ether - Carboxylic acid derivative - Oxacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as quassinoids. These are a group of compounds chemically degraded from triterpenes. According to their basic skeleton, quassinoids are categorized into five distinct groups, C-18, C-19, C-20, C-22 and C-25 types. The C-20 quassinoids can be further classified into two types, tetracyclic and the pentacyclic. The tetracyclic variety does not have oxygenation at C-20, while the pentacyclic quassinoids possess additional oxygenation at C-20 that allows for the formation of an additional ring.

External Descriptors

Not available

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