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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Androstane steroids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
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
Halogenated steroids 17-oxosteroids Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organonitrogen compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Alkyl bromides
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