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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Steroids and steroid derivatives
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Subclass
Hydroxysteroids
- Level 5 21-hydroxysteroids
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Subclass
Hydroxysteroids
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Class
Steroids and steroid derivatives
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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 11-beta-hydroxysteroids Delta-1,4-steroids Diterpenoids Benzylethers Dichlorobenzenes Ketals N-substituted imidazoles Monosaccharides Aryl chlorides Organic nitrates Heteroaromatic compounds Enones Alpha-hydroxy ketones Acryloyl compounds 1,3-dioxolanes Secondary alcohols Organic nitro compounds Organic nitric acids and derivatives Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives Alkyl fluorides
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