Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1[C@H](C)C2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12

InChIKey

InChIKey=XCSCJYCLDJDKOT-VJKKEGIWSA-N

Formula

C25H34O5

Mass

414.542

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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 - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Dicarboxylic acid or derivatives - Gamma butyrolactone - Oxolane - Methyl ester - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen 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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