Structure Information
Structure

Compound Identification

SMILES

OC[C@@H](NC(=O)CN=[N+]=[N-])[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O.ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

InChIKey

InChIKey=VTRIDVIMIJQKLG-RARXGSKNSA-N

Formula

C55H59ClFN7O10

Mass

1032.56

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Hydroxysteroids

Intermediate Tree Nodes

Not available

Direct Parent

21-hydroxysteroids

Alternative Parents

Molecular Framework

Not available

Substituents

21-hydroxysteroid - Progestogin-skeleton - Pregnane-skeleton - 20-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Halo-steroid - 9-halo-steroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Alpha-amino acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Organic nitro compound - Cyclic ketone - Secondary carboxylic acid amide - Secondary alcohol - C-nitro compound - Ketone - Halohydrin - Fluorohydrin - Carboxamide group - Azo imide - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 21-hydroxysteroids. These are steroids carrying a hydroxyl group at the 21-position of the steroid backbone.

External Descriptors

Not available

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