Structure Information
Structure

Compound Identification

SMILES

CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C[C@@H](O)C(=O)C4(C)C)C3(C)C(=O)CC12C

InChIKey

InChIKey=IXQKXEUSCPEQRD-FKTGOAEESA-N

Formula

C32H46O8

Mass

558.712

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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 - 3-oxo-delta-5-steroid - 2-hydroxysteroid - Hydroxysteroid - 3-oxosteroid - 11-oxosteroid - Oxosteroid - 16-hydroxysteroid - Delta-5-steroid - Acyloin - Acryloyl-group - Alpha,beta-unsaturated ketone - Cyclic alcohol - Alpha-hydroxy ketone - Tertiary alcohol - Enone - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Alcohol - Hydrocarbon derivative - 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

Not available

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