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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Hydroxysteroids
- Level 5 21-hydroxysteroids
-
Subclass
Hydroxysteroids
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
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
Gluco/mineralocorticoids, progestogins and derivatives 20-oxosteroids Halogenated steroids 3-oxo delta-1,4-steroids 17-hydroxysteroids 11-beta-hydroxysteroids Delta-1,4-steroids Alpha amino acids and derivatives Nitrobenzenes Nitroaromatic compounds Tertiary alcohols Alpha-hydroxy ketones Secondary carboxylic acid amides Secondary alcohols Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Azo imides Azo compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organopnictogen compounds Organofluorides Organic zwitterions Organic oxides Hydrocarbon derivatives Aromatic alcohols Alkyl fluorides
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