Structure Information
Structure

Compound Identification

SMILES

OC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl.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=KMNWUGSTEFYLCM-PUDZRVQSSA-N

Formula

C38H41Cl2NO8

Mass

710.65

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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 - 1,3-dichlorobenzene - Aniline or substituted anilines - Cyclohexenone - Chlorobenzene - Halobenzene - Oxepane - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Benzenoid - Primary aromatic amine - Methyl ester - Oxolane - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Cyclic ketone - Ketone - Lactone - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxacycle - Oxirane - Ether - Organoheterocyclic compound - Organonitrogen compound - Amine - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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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