Compound Identification
SMILES
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]34C)[C@@H]1CC[C@@H]2C(=O)COS(=O)(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=ZQNARVKYKGBJES-SQISJKOFSA-N
Formula
C27H33BrO5S
Mass
549.52
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 Benzenesulfonate esters Benzenesulfonyl compounds Arylsulfonic acids and derivatives Cyclohexenones Bromobenzenes Organosulfonic acid esters Aryl bromides Sulfonyls Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Benzenesulfonate ester - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Cyclohexenone - Halobenzene - Bromobenzene - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid ester - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic ketone - Ketone - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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