Compound Identification
SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(Br)=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)C1(OC(C)=O)C(=O)COC(C)=O
InChIKey
InChIKey=CAPJXOFUERKRLV-QVVILPRJSA-N
Formula
C26H30BrCl2FO6
Mass
608.32
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-oxo delta-1,4-steroids Delta-1,4-steroids Alpha-acyloxy ketones Dicarboxylic acids and derivatives Alpha-haloketones Cyclic ketones Carboxylic acid esters Vinyl bromides Bromoalkenes Organofluorides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides Alkyl chlorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - Steroid ester - 20-oxosteroid - Oxosteroid - Halo-steroid - 11-halo-steroid - 6-halo-steroid - 2-halo-steroid - 9-halo-steroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Alpha-haloketone - Cyclic ketone - Ketone - Carboxylic acid ester - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organochloride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl chloride - 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