Structure Information
Structure

Compound Identification

SMILES

COC(=O)C12OCC34C1C(OC(=O)CC(C)C(C)C)C(=O)OC3CC1C(C)C(O)C(=O)CC1(C)C4C(O)C2O

InChIKey

InChIKey=SBPFSTIEIKCQTE-UHFFFAOYSA-N

Formula

C28H40O11

Mass

552.617

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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

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