Structure Information
Structure

Compound Identification

SMILES

C[C@@H]1C[C@H](O)C(=O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@](C)(C[C@@H](OC(C)=O)[C@H]2[C@@]13C)C(=O)C1COC(=O)C1

InChIKey

InChIKey=XNXXVFZJNZBURI-UDLBRNRPSA-N

Formula

C27H36O9

Mass

504.576

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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-25 quassinoid skeleton - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Naphthalene - Tricarboxylic acid or derivatives - Delta_valerolactone - Delta valerolactone - Pyran - Oxane - Gamma butyrolactone - Tetrahydrofuran - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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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