Structure Information
Structure

Compound Identification

SMILES

O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1.CC1(C)O[C@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)C4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

InChIKey

InChIKey=BCSTWFQGKOAWED-HUCPNFHCSA-N

Formula

C42H47Cl3FN3O10

Mass

879.2

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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 - Diterpenoid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Halo-steroid - 9-halo-steroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Benzylether - 1,3-dichlorobenzene - Ketal - Halobenzene - Chlorobenzene - Benzenoid - N-substituted imidazole - Monosaccharide - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Organic nitrate - Imidazole - Enone - Cyclic alcohol - Azole - Alpha-hydroxy ketone - Acryloyl-group - Meta-dioxolane - Organic nitro compound - Cyclic ketone - Secondary alcohol - Organic nitric acid or derivatives - Ketone - Halohydrin - Fluorohydrin - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organic hyponitrite - 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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