Structure Information
Structure

Compound Identification

SMILES

[Na+].CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C1=CC(=CC=C1)S([O-])(=O)=O

InChIKey

InChIKey=XGCAQYZQAVKKHC-UHFFFAOYSA-M

Formula

C28H33NaO9S

Mass

568.61

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Progestogin-skeleton - 20-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Benzenesulfonate - Benzoate ester - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoyl - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

External Descriptors

Not available

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