Structure Information
Structure

Compound Identification

SMILES

COC(=O)\C=C\[C@@H]1CC2=CC(=O)CC[C@]2(C)C23O[C@H]2C[C@@]2(C)C(CC[C@@]22CCC(=O)O2)C13

InChIKey

InChIKey=ATCSZKBXUSHFTP-LUMWTIBRSA-N

Formula

C26H32O6

Mass

440.536

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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

Aliphatic heteropolycyclic compounds

Substituents

Spironolactone - Fatty acid ester - Cyclohexenone - Oxepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - Fatty acyl - Oxolane - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Ketone - Cyclic ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic 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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