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Structure Information
Structure

Compound Identification

SMILES

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.COCCOC[C@H](CC1(CCCC1)C(=O)NC1CCC(CC1)C(O)=O)C(=O)OC1=CC2=C(CCC2)C=C1

InChIKey

InChIKey=XBFUZMKHYBWVKE-FOGRWCIYSA-N

Formula

C53H71NO13

Mass

930.145

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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 - Phenol ester - Indane - Oxepane - Cyclohexenone - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Gamma butyrolactone - Benzenoid - Oxolane - Methyl ester - Cyclic ketone - Lactone - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen 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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