Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@H]4C\C(=N\OC5=CC=C(C=C5)[N+]([O-])=O)[C@H](Br)C[C@]34C)[C@@H]1CCC2=O

InChIKey

InChIKey=VAVMQQNNCHMREK-NMGWPLJBSA-N

Formula

C25H31BrN2O4

Mass

503.437

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Androstane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Androstane steroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Androstane-skeleton - 2-halo-steroid - Halo-steroid - 17-oxosteroid - Oxosteroid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - Ketone - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organobromide - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Alkyl bromide - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as androstane steroids. These are steroids with a structure based on the 19-carbon androstane skeleton.

External Descriptors

Not available

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