Structure Information
Structure

Compound Identification

SMILES

C[C@]12CCC3[C@H]([C@@H]1CC[C@@]21CCC(=O)O1)[C@H](S)CC1=CC(=O)CC[C@]31C.CCCCC1=NN(CC2=CN=C(C=C2)C2=CC=CC=C2C2=NNN=N2)C(CCCC)=N1

InChIKey

InChIKey=QUFBYAOJXWNDQU-PDWHQARUSA-N

Formula

C45H58N8O3S

Mass

791.07

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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 - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - 2-phenylpyridine - Phenyltetrazole - Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Pyridine - Gamma butyrolactone - Heteroaromatic compound - Azole - 1,2,4-triazole - Tetrazole - Oxolane - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Alkylthiol - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - 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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