Compound Identification
SMILES
O[N+]([O-])=O.ClC1=CC(Cl)=C(COC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=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=VLRUDKDKSWHERE-OJJGEMKLSA-N
Formula
C39H45Cl4N3O9
Mass
841.6
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
Oxosteroids
- Level 5 20-oxosteroids
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Subclass
Oxosteroids
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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
Oxosteroids
Intermediate Tree Nodes
Not available
Direct Parent
20-oxosteroids
Alternative Parents
Androgens and derivatives 3-oxo delta-4-steroids 17-hydroxysteroids 11-beta-hydroxysteroids Delta-4-steroids Diterpenoids Benzylethers Dichlorobenzenes Cyclohexenones N-substituted imidazoles Monosaccharides Aryl chlorides Acyloins Tertiary alcohols Organic nitrates Heteroaromatic compounds Enones Alpha-hydroxy ketones Acryloyl compounds Secondary alcohols Organic nitro compounds Organic nitric acids and derivatives Cyclic alcohols and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic zwitterions Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
20-oxosteroid - Diterpenoid - Androgen-skeleton - Androstane-skeleton - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Benzylether - 1,3-dichlorobenzene - Cyclohexenone - Halobenzene - Chlorobenzene - Benzenoid - N-substituted imidazole - Monosaccharide - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Acyloin - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Tertiary alcohol - Organic nitrate - Imidazole - Enone - Cyclic alcohol - Azole - Alpha-hydroxy ketone - Acryloyl-group - Organic nitro compound - Cyclic ketone - Secondary alcohol - Organic nitric acid or derivatives - Ketone - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organochloride - Organic hyponitrite - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 20-oxosteroids. These are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton.
External Descriptors
Not available