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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cucurbitacins
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
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
Triterpenoids Steroid esters 11-oxosteroids 16-hydroxysteroids 3-oxo delta-5-steroids Delta-5-steroids Acyloins Enones Alpha-hydroxy ketones Tertiary alcohols Acryloyl compounds Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
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