Compound Identification
SMILES
C[C@H](OC(=O)C1=CC(Cl)=CC=C1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=AGJOBJFQUHMNNE-FWIKBSLOSA-N
Formula
C28H35ClO3
Mass
455.04
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
3-oxo delta-4-steroids Delta-4-steroids Benzoic acid esters 3-halobenzoic acids and derivatives Benzoyl derivatives Cyclohexenones Chlorobenzenes Aryl chlorides Carboxylic acid esters Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Cyclohexenone - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic 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