Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](O)C(=O)O[C@@H]3CC1C(C)=C(OC(=O)CC(C)C(F)(F)F)C(=O)C[C@]1(C)C4[C@@H](O)[C@H]2O

InChIKey

InChIKey=DRHBGHWWZZPDNF-XAPSSOANSA-N

Formula

C26H31F3O11

Mass

576.518

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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 - Tricarboxylic acid or derivatives - Furopyran - Delta_valerolactone - Fatty acid ester - Oxepane - Cyclohexenone - Delta valerolactone - Beta-hydroxy acid - Pyran - Oxane - Hydroxy acid - Fatty acyl - Cyclic alcohol - Enol ester - Furan - Methyl ester - Tetrahydrofuran - Secondary alcohol - Lactone - Cyclic ketone - Ketone - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Alkyl fluoride - Carbonyl group - Organohalogen compound - Organofluoride - Organooxygen compound - Alkyl halide - 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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