Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1.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)CO

InChIKey

InChIKey=MFXYQIHPQYSOHM-WPUDDCNKSA-N

Formula

C43H47ClN2O5

Mass

707.31

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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 - Triphenyl compound - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Cyclohexenone - Halobenzene - Chlorobenzene - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary alcohol - Imidazole - Cyclic alcohol - Azole - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - 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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