Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)C(O)CC(=O)C(C)(O)C1C(O)CC2(C)C3C(O)C=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C

InChIKey

InChIKey=XATDXOUNLNYHKC-UHFFFAOYSA-N

Formula

C30H44O9

Mass

548.673

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 - 25-hydroxysteroid - 24-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-oxo-delta-1-steroid - Hydroxysteroid - 3-oxosteroid - 2-hydroxysteroid - 16-hydroxysteroid - 7-hydroxysteroid - Oxosteroid - 11-oxosteroid - Delta-1-steroid - Cyclohexenone - Beta-hydroxy ketone - Acyloin - Alpha-hydroxy ketone - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Cyclic ketone - Ketone - Enol - Polyol - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - 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