Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@]12OC[C@@]34[C@H]1[C@@H](OC(=O)\C=C(\C1=CC=CC=C1)C(F)(F)F)C(=O)O[C@@H]3C[C@H]1C(C)=C(O)C(=O)C[C@]1(C)[C@H]4[C@@H](O)C2O

InChIKey

InChIKey=JLHWUUZAGPHWJG-FZXPFJSYSA-N

Formula

C31H31F3O11

Mass

636.573

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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

Aromatic heteropolycyclic compounds

Substituents

Triterpenoid - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Cinnamic acid or derivatives - Cinnamic acid ester - Naphthalene - Furopyran - Tricarboxylic acid or derivatives - Styrene - Delta_valerolactone - Cyclohexenone - Fatty acid ester - Delta valerolactone - Oxepane - Beta-hydroxy acid - Benzenoid - Hydroxy acid - Oxane - Pyran - Monocyclic benzene moiety - Fatty acyl - Methyl ester - Furan - Enoate ester - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Tetrahydrofuran - Lactone - 1,2-diol - Ketone - Cyclic ketone - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Dialkyl ether - Enol - Ether - Alkyl fluoride - Alcohol - Organic oxygen compound - Carbonyl group - Alkyl halide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Aromatic 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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