Structure Information
Structure

Compound Identification

SMILES

C[C@]12C[C@H](O)C3(Br)[C@@H](C[C@@H](F)C4=CC(=O)C=C[C@]34C)[C@@H]1C(O)CC2(CC(O)=O)C(=O)C(O)CC(O)=O

InChIKey

InChIKey=YSJNVVDOPLDUBF-HIGXOGFFSA-N

Formula

C25H30BrFO9

Mass

573.408

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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 - Steroid acid - 11-hydroxysteroid - 11-beta-hydroxysteroid - Oxosteroid - Hydroxysteroid - 15-hydroxysteroid - Halo-steroid - 6-halo-steroid - 9-halo-steroid - 3-oxosteroid - 3-oxo-delta-1,4-steroid - Delta-1,4-steroid - Medium-chain keto acid - Gamma-keto acid - Hydroxy fatty acid - Halogenated fatty acid - Beta-hydroxy acid - Fatty acyl - Keto acid - Hydroxy acid - Dicarboxylic acid or derivatives - Acyloin - Cyclic alcohol - Alpha-hydroxy ketone - Cyclic ketone - Secondary alcohol - Ketone - Halohydrin - Bromohydrin - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Alkyl bromide - 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

Not available

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