Compound Identification
SMILES
C[C@H]1[NH2+]CCC2=CC(O)=C(O)C=C12.CC(C)CC(=O)C[C@](C)(O)[C@H]1CCC2[C@@H]3CC(O)C4C[C@H](CC[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O
InChIKey
InChIKey=IWUIINFRLSNMSJ-NYJDANDDSA-N
Formula
C37H57NO9S
Mass
691.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cholestane steroids
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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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholestane steroids
Alternative Parents
Dihydroxy bile acids, alcohols and derivatives Oxosteroids 6-hydroxysteroids Sulfated steroids Tetrahydroisoquinolines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Sulfuric acid monoesters Alkyl sulfates Beta-hydroxy ketones Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds Organic salts
Molecular Framework
Not available
Substituents
Cholestane-skeleton - Dihydroxy bile acid, alcohol, or derivatives - 23-oxosteroid - Hydroxy bile acid, alcohol, or derivatives - Bile acid, alcohol, or derivatives - Sulfated steroid skeleton - 20-hydroxysteroid - Oxosteroid - Hydroxysteroid - 6-hydroxysteroid - Tetrahydroisoquinoline - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Benzenoid - Beta-hydroxy ketone - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Tertiary alcohol - Organic sulfuric acid or derivatives - Cyclic alcohol - Ketone - Secondary alcohol - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.
External Descriptors
Not available