Compound Identification
SMILES
C[C@]12CCC3C(C1CCC2=O)[C@H](O)C=C1C[C@H](CC[C@]31C)OC(=O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=XDTNFXSLWJOKFG-XPUDJKGZSA-N
Formula
C26H31ClO4
Mass
442.98
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
7-hydroxysteroids 17-oxosteroids Delta-5-steroids Benzoic acid esters 3-halobenzoic acids and derivatives Benzoyl derivatives Chlorobenzenes Aryl chlorides Secondary alcohols Ketones Carboxylic acid esters Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Androstane-skeleton - Hydroxysteroid - 17-oxosteroid - 7-hydroxysteroid - Oxosteroid - Delta-5-steroid - Benzoate ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Secondary alcohol - Ketone - Carboxylic acid ester - Carboxylic acid derivative - Alcohol - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Organooxygen compound - Carbonyl group - 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