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Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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