Compound Identification
SMILES
Cl.CCN(CC)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
InChIKey
InChIKey=AKQNAIYKSALPKV-UHFFFAOYSA-N
Formula
C27H42ClNO6
Mass
512.08
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 11-hydroxysteroids 17-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Alpha amino acid esters Alpha-acyloxy ketones Cyclohexenones Tertiary alcohols Alpha-hydroxy ketones Cyclic alcohols and derivatives Carboxylic acid esters Trialkylamines Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-4-steroid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Cyclohexenone - Alpha-acyloxy ketone - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Amino acid or derivatives - Cyclic ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - 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