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Structure Information
Structure

Compound Identification

SMILES

CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O.COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13

InChIKey

InChIKey=ISGHPOOIHBUSEX-DWAWZPIGSA-N

Formula

C44H58N2O11S

Mass

823.01

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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 - Amphetamine or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Cyclohexenone - Oxepane - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Methyl ester - Aminosulfonyl compound - Sulfonyl - Oxolane - Organosulfonic acid or derivatives - Cyclic ketone - Carboxylic acid ester - Ketone - Lactone - Secondary amine - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Oxirane - Ether - Organosulfur compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen 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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