Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(CO)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C

InChIKey

InChIKey=ISIOHUNJIPVNLH-UHFFFAOYSA-N

Formula

C30H44O8

Mass

532.674

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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 - 25-hydroxysteroid - 22-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-oxo-delta-5-steroid - 3-oxosteroid - 2-hydroxysteroid - Hydroxysteroid - 11-oxosteroid - 16-hydroxysteroid - Oxosteroid - Delta-5-steroid - Acyloin - Tertiary alcohol - Alpha,beta-unsaturated ketone - Acryloyl-group - Alpha-hydroxy ketone - Enone - Cyclic alcohol - Ketone - Secondary alcohol - Cyclic ketone - Organooxygen compound - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - 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

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