Structure Information
Structure

Compound Identification

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CS

InChIKey

InChIKey=YWDBSCORAARPPF-VWUMJDOOSA-N

Formula

C21H30O4S

Mass

378.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Hydroxysteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Tertiary alcohol - Cyclic alcohol - Alpha-hydroxy ketone - Ketone - Cyclic ketone - Secondary alcohol - Alkylthiol - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Alcohol - Organic oxide - Aliphatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

External Descriptors

CHEBI:63560 : 3-oxo steroid - 11beta-hydroxy steroid - 17alpha-hydroxy steroid - 20-oxo steroid - steroid sulfide

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