Compound Identification
SMILES
CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(O)(CC(O)=O)CCC4(C)C3CCC12C)C(C)=O
InChIKey
InChIKey=IJCYCIUTUUDKPR-UHFFFAOYSA-N
Formula
C25H33ClO6
Mass
464.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
Steroid esters 20-oxosteroids Halogenated steroids 3-hydroxysteroids Alpha-acyloxy ketones Dicarboxylic acids and derivatives Tertiary alcohols Ketones Carboxylic acid esters Vinyl chlorides Chloroalkenes Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - Steroid ester - 20-oxosteroid - 3-hydroxysteroid - 6-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Carboxylic acid - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Organohalogen compound - Organochloride - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
External Descriptors
Not available