Structure Information
Structure

Compound Identification

SMILES

CC(C)OC1=CC2C(=CCC3C4(C)CC(O)C(C(C)(O)C(=O)\C=C\C(C)(C)O)C4(C)CC(=O)C23C)C(C)(C)C1=O

InChIKey

InChIKey=JBXSVOIRBUHIEX-BUHFOSPRSA-N

Formula

C33H48O7

Mass

556.74

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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 - 25-hydroxysteroid - 22-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-oxo-delta-1-steroid - 3-oxosteroid - 16-hydroxysteroid - Hydroxysteroid - Oxosteroid - 11-oxosteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Cyclic alcohol - Tertiary alcohol - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Organic oxide - Alcohol - Organic oxygen compound - Carbonyl group - Organooxygen compound - 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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