Compound Identification
SMILES
CC(=O)S[C@H]1CC[C@]2(C)C3CC[C@@]4(CO)C(C[C@@H](Br)C4=O)C3[C@@H](O)C=C2C1
InChIKey
InChIKey=NIDBSHSVYXQXLG-CROZWWCNSA-N
Formula
C21H29BrO4S
Mass
457.42
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
-
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
18-hydroxysteroids 17-oxosteroids 7-alpha-hydroxysteroids Halogenated steroids Delta-5-steroids Alpha-haloketones Carbothioic S-esters Thioesters Secondary alcohols Carboxylic acids and derivatives Sulfenyl compounds Hydrocarbon derivatives Organobromides Primary alcohols Alkyl bromides Organic oxides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Androstane-skeleton - 18-hydroxysteroid - 16-halo-steroid - Halo-steroid - Hydroxysteroid - 17-oxosteroid - Oxosteroid - 7-hydroxysteroid - 7-alpha-hydroxysteroid - Delta-5-steroid - Alpha-haloketone - Secondary alcohol - Thiocarboxylic acid ester - Carbothioic s-ester - Ketone - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Primary alcohol - Organohalogen compound - Organobromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - Carbonyl group - Organosulfur compound - Alkyl halide - Alkyl bromide - Aliphatic 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