Compound Identification
SMILES
C[C@@H]1C[C@H]2[C@@H]3C=C(C)C4=CC5=C(C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COS(C)(=O)=O)C=NN5C1=CC=CC=C1
InChIKey
InChIKey=ZTIPMRARWYTJJD-WSHUFMFXSA-N
Formula
C31H38N2O6S
Mass
566.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Pregnane steroids
-
Class
Steroids and steroid derivatives
-
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
Pregnane steroids
Alternative Parents
20-oxosteroids 17-hydroxysteroids 11-beta-hydroxysteroids Phenylpyrazoles Sulfonic acid esters Organosulfonic acid esters Benzene and substituted derivatives Tertiary alcohols Sulfonyls Methanesulfonates Heteroaromatic compounds Alpha-hydroxy ketones Secondary alcohols Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pregnane-skeleton - 20-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - Phenylpyrazole - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazole - Methanesulfonate - Cyclic alcohol - Azole - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.
External Descriptors
Not available