Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1[C@H](O)CC2(C)C3CC=C4[C@@H](CC[C@H](O)C4(C)C)C3(CO)C(=O)CC12C

InChIKey

InChIKey=DGIGXLXLGBAJJN-IHGCRQHVSA-N

Formula

C32H48O8

Mass

560.728

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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

Triterpenoid - Cucurbitacin skeleton - 22-oxosteroid - 21-oxosteroid - Steroid ester - 20-hydroxysteroid - 3-beta-hydroxysteroid - 16-hydroxysteroid - 16-alpha-hydroxysteroid - 3-beta-hydroxy-delta-5-steroid - Oxosteroid - 11-oxosteroid - Hydroxysteroid - 3-hydroxysteroid - 3-hydroxy-delta-5-steroid - Delta-5-steroid - Acyloin - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - Secondary alcohol - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - 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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