Compound Identification
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC2OS(N)(=O)=O.C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1
InChIKey
InChIKey=YEXRGKOHMAGICU-VCUFPUMWSA-N
Formula
C42H55NO7S
Mass
717.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
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Subclass
Steroid lactones
- Level 5 Spironolactones and derivatives
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Subclass
Steroid lactones
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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
Steroid lactones
Intermediate Tree Nodes
Not available
Direct Parent
Spironolactones and derivatives
Alternative Parents
3-hydroxysteroids Phenanthrenes and derivatives Tetralins Cyclohexenones 1-hydroxy-2-unsubstituted benzenoids Gamma butyrolactones Oxolanes Organic sulfuric acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Spironolactone - 3-hydroxysteroid - Hydroxysteroid - Phenanthrene - Tetralin - Cyclohexenone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Gamma butyrolactone - Benzenoid - Organic sulfuric acid or derivatives - Oxolane - Cyclic ketone - Carboxylic acid ester - Ketone - Lactone - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as spironolactones and derivatives. These are steroid lactones with a structure based on the spironolactone skeleton.
External Descriptors
Not available