Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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