Structure Information
Structure

Compound Identification

SMILES

[K+].C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]2(O)CCC([O-])=O

InChIKey

InChIKey=NLSAMWIBIQWHTK-CZKUEYQYSA-M

Formula

C23H31KO4

Mass

410.595

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Estrane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Estrane steroids

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Estrane-skeleton - Carbocyclic fatty acid - Cyclohexenone - Hydroxy fatty acid - Fatty acyl - Cyclic alcohol - Tertiary alcohol - Carboxylic acid salt - Cyclic ketone - Ketone - Carboxylic acid derivative - Organic alkali metal salt - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organooxygen compound - Organic zwitterion - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.

External Descriptors

Not available

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