Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

InChIKey

InChIKey=NDYMQXYDSVBNLL-MUYMLXPFSA-N

Formula

C32H44O8

Mass

556.696

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Cucurbitacins

Intermediate Tree Nodes

Not available

Direct Parent

Cucurbitacins

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Cucurbitacin skeleton - Triterpenoid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - Steroid ester - 2-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - 3-oxo-delta-1-steroid - Oxosteroid - 11-oxosteroid - 3-oxosteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Alpha-hydroxy ketone - Cyclic alcohol - Enone - Tertiary alcohol - Alpha,beta-unsaturated ketone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Enol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.

External Descriptors

CHEBI:3944 : cucurbitacin
LIPIDMAPS (LMST01010107) : Cholesterol and derivatives
KEGG (C08797) : Cholesterol and derivatives - Cycloartane

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