Compound Identification
SMILES
C[C@]12C[C@H](O)C3(Br)[C@@H](C[C@@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C(O)CC2(CC(O)=O)C(=O)C(O)CC(O)=O
InChIKey
InChIKey=YSJNVVDOPLDUBF-HIGXOGFFSA-N
Formula
C25H30BrFO9
Mass
573.408
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 Steroid acids Halogenated steroids 3-oxo delta-1,4-steroids 11-beta-hydroxysteroids Delta-1,4-steroids Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Hydroxy fatty acids Halogenated fatty acids Beta hydroxy acids and derivatives Dicarboxylic acids and derivatives Acyloins Alpha-hydroxy ketones Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Bromohydrins Carboxylic acids Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - Steroid acid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - 15-hydroxysteroid - Halo-steroid - 6-halo-steroid - 9-halo-steroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Medium-chain keto acid - Gamma-keto acid - Hydroxy fatty acid - Halogenated fatty acid - Beta-hydroxy acid - Fatty acyl - Keto acid - Hydroxy acid - Dicarboxylic acid or derivatives - Acyloin - Cyclic alcohol - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Halohydrin - Bromohydrin - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl bromide - Alcohol - 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