Structure Information
Structure

Compound Identification

SMILES

C[C@H](OC(=O)C1=CC(Cl)=CC=C1)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey

InChIKey=AGJOBJFQUHMNNE-FWIKBSLOSA-N

Formula

C28H35ClO3

Mass

455.04

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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

Aromatic homopolycyclic compounds

Substituents

Progestogin-skeleton - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Cyclohexenone - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic 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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