Structure Information
Structure

Compound Identification

SMILES

[H][C@]12C[C@]3([H])CC(=O)CC[C@]3(C)[C@@]3([H])CC(=O)[C@](C)(C(=O)OC)[C@@]([H])(CC(=O)O1)[C@]23[H]

InChIKey

InChIKey=RTGDEMSYTSTPJT-BYKZAGPISA-N

Formula

C20H26O6

Mass

362.422

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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

Quassinoid - Naphthopyranone - Naphthopyran - Naphthalene - Delta valerolactone - Delta_valerolactone - Pyranone - Dicarboxylic acid or derivatives - Pyran - Oxane - Methyl ester - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - 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

Not available

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