Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC(=O)[C@]34C)[C@@H]1CC[C@@H]2C(=O)CBr
InChIKey
InChIKey=AXAWDLFLUFWOHC-GQDVPIKJSA-N
Formula
C21H27BrO3
Mass
407.348
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
20-oxosteroids 3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Beta-diketones Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - 1-oxosteroid - Delta-4-steroid - Cyclohexenone - 1,3-diketone - 1,3-dicarbonyl compound - Alpha-haloketone - Cyclic ketone - Ketone - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Alkyl bromide - Organic oxide - 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