Compound Identification
SMILES
C[C@@H]1C[C@H]2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](F)C[C@]2(C)[C@H]1C(=O)CO
InChIKey
InChIKey=MBRXSOUHUFBPQC-OWCYHNTLSA-N
Formula
C22H27ClF2O3
Mass
412.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Halogenated steroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Alpha-hydroxy ketones Cyclic ketones Primary alcohols Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 21-hydroxysteroid - 20-oxosteroid - Pregnane-skeleton - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - 6-halo-steroid - 11-halo-steroid - Halo-steroid - Oxosteroid - Delta-1,4-steroid - Alpha-hydroxy ketone - Cyclic ketone - Ketone - Organohalogen compound - Alkyl chloride - Alcohol - Organic oxygen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Primary alcohol - Aliphatic 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