Compound Identification
SMILES
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(OS(O)(=O)=O)C(=O)C4(C)C)C3(C)C(=O)CC12C
InChIKey
InChIKey=CMBHTYZDEQZAEP-UHFFFAOYSA-N
Formula
C32H44O11S
Mass
636.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cucurbitacins
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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-1-steroids Delta-1-steroids Sulfated steroids Cyclohexenones Sulfuric acid monoesters Acyloins Tertiary alcohols Acryloyl compounds Alpha-hydroxy ketones Enones Carboxylic acid esters Cyclic alcohols and derivatives Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cucurbitacin skeleton - Triterpenoid - 22-oxosteroid - 21-oxosteroid - Sulfated steroid skeleton - 20-hydroxysteroid - Steroid ester - Hydroxysteroid - 16-hydroxysteroid - 3-oxo-delta-1-steroid - 11-oxosteroid - 3-oxosteroid - Oxosteroid - Delta-1-steroid - Cyclohexenone - Acyloin - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Alpha-hydroxy ketone - 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