Compound Identification
SMILES
[Na+].[Na+].[Na+].[O-]C(=O)C1=CC=C(C=C1)S(=O)(=O)NCl.CCCCCCCCCCCCOS([O-])(=O)=O.OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C=O.C[C@]12CCC3C(CCC4=C3C=CC(OC(=O)C3=CC=CC=C3)=C4)C1CC[C@@H]2O
InChIKey
InChIKey=VTCQNIIPDFYPMZ-NYUBMDMSSA-L
Formula
C56H80ClNNa3O22S2
Mass
1287.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Steroid esters
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Steroid esters
Intermediate Tree Nodes
Not available
Direct Parent
Steroid esters
Alternative Parents
Estrane steroids 17-hydroxysteroids Fatty acyl glycosides of mono- and disaccharides Phenanthrenes and derivatives Alkyl glycosides Disaccharides Tetralins Benzoic acid esters Benzenesulfonamides Fatty alcohols Benzoic acids Benzenesulfonyl compounds Benzoyl derivatives Sulfuric acid monoesters Oxanes Beta-hydroxy aldehydes Alkyl sulfates Organosulfonic acids and derivatives Enol esters Enoate esters Aminosulfonyl compounds Alpha-hydroxyaldehydes Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid salts Oxacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Acetals Primary alcohols Organic sodium salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Not available
Substituents
Steroid ester - 17-hydroxysteroid - Hydroxysteroid - Estrane-skeleton - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenanthrene - Alkyl glycoside - Disaccharide - Tetralin - Benzoate ester - Benzenesulfonamide - Benzenesulfonyl group - Fatty alcohol - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Fatty acyl - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Beta-hydroxy aldehyde - Monocyclic benzene moiety - Alpha-hydroxyaldehyde - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic sulfuric acid or derivatives - Enol ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid salt - Carboxylic acid ester - Organic metal halide - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Primary alcohol - Organosulfur compound - Organooxygen compound - Carbonyl group - Aldehyde - Alcohol - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
External Descriptors
Not available