Compound Identification
SMILES
CCOC(=O)C1=CC=C(N)C=C1.CC(C)C1=CC(=O)C(O)=CC=C1.CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
InChIKey
InChIKey=WWXLGPIPFHPOAJ-NOQYICHDSA-N
Formula
C42H55NO10
Mass
733.899
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 17-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Aminobenzoic acids and derivatives Benzoic acid esters Tropolones Benzoyl derivatives Aniline and substituted anilines Alpha-acyloxy ketones Cyclohexenones Tertiary alcohols Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Primary amines Organopnictogen compounds Organic oxides
Molecular Framework
Not available
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - 11-beta-hydroxysteroid - 11-hydroxysteroid - 17-hydroxysteroid - Delta-4-steroid - Aminobenzoic acid or derivatives - Benzoate ester - Tropolone - Benzoic acid or derivatives - Tropone - Benzoyl - Aniline or substituted anilines - Alpha-acyloxy ketone - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Secondary alcohol - Carboxylic acid ester - Ketone - Amino acid or derivatives - Cyclic ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Primary amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Amine - Organooxygen compound - Alcohol - Hydrocarbon derivative - Aromatic 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