Structure Information
Structure

Compound Identification

SMILES

C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=MASCESDECGBIBB-HNXXTFFGSA-N

Formula

C21H32O3

Mass

332.484

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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-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-hydroxysteroid - Oxosteroid - Hydroxysteroid - Delta-4-steroid - Cyclohexenone - Cyclic alcohol - Tertiary alcohol - 1,2-diol - Cyclic ketone - Secondary alcohol - Ketone - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Alcohol - 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:16418 : 17,20-dihydroxypregn-4-en-3-one
LIPIDMAPS (LMST02030183) : C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives

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