Structure Information
Structure

Compound Identification

SMILES

[Na+].C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C1=CC(=CC=C1)S([O-])(=O)=O

InChIKey

InChIKey=XGCAQYZQAVKKHC-VDYYWZOJSA-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

Oxosteroids

Intermediate Tree Nodes

Not available

Direct Parent

20-oxosteroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

20-oxosteroid - Diterpenoid - Androgen-skeleton - Androstane-skeleton - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Benzenesulfonate - Benzoate ester - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoyl - Cyclohexenone - Alpha-acyloxy ketone - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Acyloin - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Enone - Cyclic alcohol - Alpha-hydroxy ketone - Acryloyl-group - 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 - Alcohol - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.

External Descriptors

Not available

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