Compound Identification
SMILES
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)CO.ClC(Cl)C(=O)NC1=CC=CC2=C1C(=CC(N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1)=C2OC(=O)C(Cl)Cl)N=NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1
InChIKey
InChIKey=LHMSZHVWEVERAI-UHFFFAOYSA-N
Formula
C53H51Cl4N9O12S4
Mass
1276.08
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
-
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 3-oxo delta-4-steroids 17-hydroxysteroids 11-hydroxysteroids Delta-4-steroids Naphthalenes Benzenesulfonamides Benzenesulfonyl compounds N-arylamides Cyclohexenones Organosulfonamides Thiazoles Tertiary alcohols Heteroaromatic compounds Aminosulfonyl compounds Alpha-hydroxy ketones Alpha-halocarboxylic acid derivatives Secondary carboxylic acid amides Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Not available
Substituents
21-hydroxysteroid - Progestogin-skeleton - Pregnane-skeleton - 20-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Naphthalene - Benzenesulfonamide - Benzenesulfonyl group - N-arylamide - Cyclohexenone - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - Thiazole - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Azole - Alpha-hydroxy ketone - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Cyclic ketone - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxamide group - Azo compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - 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