Structure Information
Structure

Compound Identification

SMILES

[H][C@@]1(C)CC(=O)[C@@]([H])(OC(C)=O)[C@@]2(C)[C@@]1([H])C[C@@]1([H])O[C@@]([H])(C[C@@]3([H])C(C)=C(OC)C(=O)[C@@]2([H])[C@@]13C)OCC

InChIKey

InChIKey=JSKMJFYGNCQSRH-UTUPCUBUSA-N

Formula

C25H36O7

Mass

448.556

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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 - Polycyclic triterpenoid - Quassinoid - Naphthopyran - Naphthalene - Cyclohexenone - Alpha-acyloxy ketone - Oxane - Pyran - Ketone - Carboxylic acid ester - Cyclic ketone - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - 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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