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]3[C@@H](O)C=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

InChIKey

InChIKey=SGUCHYFOTGXDTG-IEPPCUIASA-N

Formula

C32H44O9

Mass

572.695

Export to:

JSON SDF CSV

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 - 3-oxo-delta-1-steroid - 3-oxosteroid - 2-hydroxysteroid - Hydroxysteroid - 11-oxosteroid - 14-alpha-methylsteroid - Oxosteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - 7-alpha-hydroxysteroid - 7-hydroxysteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Alpha,beta-unsaturated ketone - Tertiary alcohol - Alpha-hydroxy ketone - Cyclic alcohol - Enone - Acryloyl-group - Carboxylic acid ester - Secondary alcohol - Cyclic ketone - Ketone - Enol - Carboxylic acid derivative - Polyol - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Alcohol - Organooxygen 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

Not available

Previous Back Next