Compound Identification
SMILES
CC12C[C@H](O)[C@H]3C(C=C(Cl)C4=CC(=O)C=CC34C)[C@@H]1CC[C@]2(O)C(=O)CO
InChIKey
InChIKey=YTJIBEDMAQUYSZ-NCQHWWHGSA-N
Formula
C21H25ClO5
Mass
392.88
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 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Tertiary alcohols Alpha-hydroxy ketones Cyclic ketones Cyclic alcohols and derivatives Secondary alcohols Chloroalkenes Vinyl chlorides Organochlorides Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 21-hydroxysteroid - 20-oxosteroid - Pregnane-skeleton - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - 6-halo-steroid - Oxosteroid - 3-oxo-delta-1,4-steroid - Halo-steroid - Delta-1,4-steroid - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Cyclic ketone - Secondary alcohol - Ketone - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Primary alcohol - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organochloride - Organohalogen compound - 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