Compound Identification
SMILES
[O-]S(=O)(=O)C(F)(F)F.CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](C[C@]12C)OCC(=O)NCCC1=CC=C(OC(=O)C2=C3C=CC=CC3=[N+](C)C3=CC=CC=C23)C=C1
InChIKey
InChIKey=FEZBZGDUFCMDHY-PDELBBBOSA-N
Formula
C47H51F3N2O9S
Mass
876.99
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 Acridines Phenol esters Pyridinecarboxylic acids Trifluoromethanesulfonates Phenoxy compounds Cyclohexenones Pyridinium derivatives Methanesulfonates Heteroaromatic compounds Sulfonyls Organosulfonic acids Trihalomethanes Carboxylic acid esters Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organic cations
Molecular Framework
Not available
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Acridine - Benzoquinoline - Phenol ester - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Phenoxy compound - Trifluoromethanesulfonate - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyridinium - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Heteroaromatic compound - Methanesulfonate - Secondary carboxylic acid amide - Cyclic ketone - Trihalomethane - Carboxamide group - Carboxylic acid ester - Ketone - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl halide - Organic oxygen compound - Halomethane - Organosulfur compound - Organic oxide - Carbonyl group - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Organic cation - Aromatic heteropolycyclic 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