Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=LXJUIWBRCOHJPD-UHFFFAOYSA-N

Formula

C32H44O11S

Mass

636.75

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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 - Sulfated steroid skeleton - Steroid ester - 20-hydroxysteroid - 2-hydroxysteroid - Hydroxysteroid - Oxosteroid - 3-oxosteroid - 3-oxo-delta-1-steroid - 11-oxosteroid - Delta-1-steroid - Cyclohexenone - Alkyl sulfate - Acyloin - Sulfate-ester - Sulfuric acid monoester - Sulfuric acid ester - Acryloyl-group - Alpha-hydroxy ketone - Alpha,beta-unsaturated ketone - Enone - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic ketone - Carboxylic acid ester - Ketone - Enol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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

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