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]1CC[C@@H]2O
InChIKey
InChIKey=PCPWXBOVEMGXRD-PROZPENESA-N
Formula
C25H33BrN2O4
Mass
505.453
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
17-hydroxysteroids Halogenated steroids Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Secondary alcohols Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic zwitterions Hydrocarbon derivatives Organobromides Organonitrogen compounds Alkyl bromides Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Androstane-skeleton - 2-halo-steroid - Halo-steroid - Hydroxysteroid - 17-hydroxysteroid - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Organic nitro compound - C-nitro compound - Secondary alcohol - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Alkyl halide - Organobromide - Organohalogen compound - Organonitrogen compound - Alkyl bromide - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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