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Structure Information
Structure

Compound Identification

SMILES

CCCC(=O)NC1=CC(C(C)=O)=C(OCC(O)CNC(C)C)C=C1.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=AQFCPAZBPLVRRA-PUDZRVQSSA-N

Formula

C42H58N2O10

Mass

750.93

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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 - Alkyl-phenylketone - Acetophenone - Phenylketone - Anilide - Phenoxy compound - Benzoyl - Phenol ether - N-arylamide - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Oxepane - Cyclohexenone - Fatty amide - Gamma butyrolactone - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxolane - Methyl ester - Amino acid or derivatives - Secondary alcohol - Lactone - Carboxamide group - Secondary carboxylic acid amide - 1,2-aminoalcohol - Ketone - Cyclic ketone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Oxirane - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - 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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