Compound Identification
SMILES
CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]12C)C(=O)COC(=O)OCC(N)C(=O)OCCCCO[N+]([O-])=O
InChIKey
InChIKey=BVJTYUOZFSSBRI-XHEKNDECSA-N
Formula
C33H45ClN2O13
Mass
713.17
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
Steroid esters 20-oxosteroids Halogenated steroids 3-oxo delta-1,4-steroids 11-beta-hydroxysteroids Delta-1,4-steroids Alpha amino acid esters Alpha-acyloxy ketones Dicarboxylic acids and derivatives Carbonic acid diesters Alkyl nitrates Secondary alcohols Organic nitro compounds Organic nitric acids and derivatives Cyclic ketones Cyclic alcohols and derivatives Chlorohydrins Carboxylic acid esters Organopnictogen compounds Organochlorides Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - Steroid ester - 20-oxosteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - Halo-steroid - 9-halo-steroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Alpha-amino acid ester - Alpha-amino acid or derivatives - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Carbonic acid diester - Alkyl nitrate - Organic nitrate - Cyclic alcohol - Organic nitro compound - Cyclic ketone - Secondary alcohol - Organic nitric acid or derivatives - Carbonic acid derivative - Ketone - Halohydrin - Chlorohydrin - Carboxylic acid ester - Amino acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - 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