Compound Identification
SMILES
CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]21C
InChIKey
InChIKey=FBHSPRKOSMHSIF-GRMWVWQJSA-N
Formula
C25H31NO6
Mass
441.524
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 11-beta-hydroxysteroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Alpha-acyloxy ketones Oxazolines Secondary alcohols Imidoesters Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Cyclic alcohol - Oxazoline - Carboxylic acid ester - Imido ester - Ketone - Cyclic ketone - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Aliphatic 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