Structure Information
Structure

Compound Identification

SMILES

CC[C@@](C)(OC(C)=O)C(=O)O[C@@H]1[C@H]2[C@@]3(C)OC[C@]22[C@@H](C[C@H]4C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@H]2[C@@H](O)[C@@H]3O)OC1=O

InChIKey

InChIKey=FXMIXHYJCNZLFE-UDLAVWPNSA-N

Formula

C27H36O11

Mass

536.574

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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 - Delta valerolactone - Fatty acid ester - Delta_valerolactone - Cyclohexenone - Oxepane - Fatty acyl - Pyran - Oxane - Tetrahydrofuran - Cyclic alcohol - Furan - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Lactone - Oxacycle - Ether - Dialkyl ether - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - 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

CHEBI:8691 : organic heteropentacyclic compound - acetate ester - enone - bridged compound - delta-lactone - triol - cyclic ether - quassinoid

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