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Structure Information
Structure

Compound Identification

SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12.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=UPLZKSCDKYSPDC-FOAOGMTASA-N

Formula

C47H66O13

Mass

839.032

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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 - Fatty alcohol - Medium-chain hydroxy acid - Medium-chain fatty acid - Beta-hydroxy acid - Branched fatty acid - Cyclohexenone - Fatty acid ester - Oxepane - Hydroxy fatty acid - Dicarboxylic acid or derivatives - Fatty acyl - Gamma butyrolactone - Hydroxy acid - Methyl ester - Oxolane - Carboxylic acid ester - Cyclic ketone - Secondary alcohol - Ketone - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Oxirane - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - 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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