Structure Information
Structure

Compound Identification

SMILES

CC(C)(O)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

InChIKey

InChIKey=NISPVUDLMHQFRQ-MKIKIEMVSA-N

Formula

C30H42O7

Mass

514.659

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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-oxosteroid - 21-oxosteroid - 20-hydroxysteroid - 3-oxo-delta-1-steroid - 2-hydroxysteroid - 14-alpha-methylsteroid - Hydroxysteroid - 11-oxosteroid - Oxosteroid - 3-oxosteroid - 16-alpha-hydroxysteroid - 16-hydroxysteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Alpha-hydroxy ketone - Tertiary alcohol - Alpha,beta-unsaturated ketone - Cyclic alcohol - Enone - Acryloyl-group - Cyclic ketone - Secondary alcohol - Ketone - Enol - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - 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

CHEBI:3947 : cucurbitacin
LIPIDMAPS (LMST01010110) : Cholesterol and derivatives
KEGG (C08800) : Cholesterol and derivatives - Cycloartane

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