Compound Identification
SMILES
Cl.CCN(CC)CC(=O)OCC(=O)C1(O)C(=C)CC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C
InChIKey
InChIKey=CCXTYBZGIOXYJL-UHFFFAOYSA-N
Formula
C28H40ClNO6
Mass
522.08
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-1,4-steroids 17-hydroxysteroids 11-hydroxysteroids Delta-1,4-steroids Alpha amino acid esters Alpha-acyloxy ketones Tertiary alcohols Alpha-hydroxy ketones Trialkylamines Secondary alcohols Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - Oxosteroid - Hydroxysteroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Alpha-acyloxy ketone - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Ketone - Carboxylic acid ester - Amino acid or derivatives - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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