Compound Identification
SMILES
OC1=CC=C(Cl)C=C1.CC(C)C1=C(O)C=C(C)C=C1.OC1=C(CC2=C(O)C(Cl)=CC(Cl)=C2Cl)C(Cl)=C(Cl)C=C1Cl.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=LGTPPGAOCUNCRK-IFAKRCIJSA-N
Formula
C51H54Cl7FO9
Mass
1078.13
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 17-hydroxysteroids 11-beta-hydroxysteroids Delta-1,4-steroids Diphenylmethanes Aromatic monoterpenoids Phenylpropanes Cumenes P-chlorophenols O-chlorophenols Meta cresols M-chlorophenols Toluenes Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Fluorohydrins Cyclic ketones Cyclic alcohols and derivatives Primary alcohols Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives 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 - Diphenylmethane - P-cymene - Phenylpropane - Cumene - 4-chlorophenol - 2-chlorophenol - M-cresol - 3-chlorophenol - 2-halophenol - 3-halophenol - 4-halophenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Halohydrin - Fluorohydrin - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic homopolycyclic 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