Structure Information
Structure

Compound Identification

SMILES

[Na+].C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(=C4)S([O-])(=O)=O)[C@@H]1CCC2=O

InChIKey

InChIKey=HLRWAQJTDGYBIF-ZFINNJDLSA-M

Formula

C18H21NaO4S

Mass

356.41

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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

Aromatic homopolycyclic compounds

Substituents

Estrane-skeleton - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Ketone - Organic alkali metal salt - Organic sodium salt - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic salt - Aromatic 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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