Compound Identification
SMILES
[Na+].CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2(O)C(=O)COC(=O)C1=CC(=CC=C1)S([O-])(=O)=O
InChIKey
InChIKey=XGCAQYZQAVKKHC-UHFFFAOYSA-M
Formula
C28H33NaO9S
Mass
568.61
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 17-hydroxysteroids 11-hydroxysteroids Delta-4-steroids Benzoic acid esters Benzenesulfonic acids and derivatives Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Benzoyl derivatives Cyclohexenones Tertiary alcohols Sulfonyls Organosulfonic acids Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organic sodium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-4-steroid - Delta-4-steroid - Benzenesulfonate - Benzoate ester - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid or derivatives - Arylsulfonic acid or derivatives - Benzoyl - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Cyclic alcohol - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organooxygen compound - Carbonyl group - Alcohol - 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