Compound Identification
SMILES
N.C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](CCC=C(C5=CC(C(O)=O)=C(O)C(Cl)=C5)C5=CC(C(O)=O)=C(O)C(Cl)=C5)CC[C@]34C)[C@@H]1CC[C@@H]2CCC=C(C1=CC(C(O)=O)=C(O)C(Cl)=C1)C1=CC(C(O)=O)=C(O)C(Cl)=C1
InChIKey
InChIKey=HLOVPMRXEFPTFP-UCHCQFTKSA-N
Formula
C55H59Cl4NO12
Mass
1067.87
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
Tetracarboxylic acids and derivatives Diphenylmethanes Salicylic acids 3-halobenzoic acids Halobenzoic acids Benzoic acids Styrenes Benzoyl derivatives O-chlorophenols Chlorobenzenes Aryl chlorides Vinylogous acids Carboxylic acids Organooxygen compounds Organic nitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Androstane-skeleton - Diphenylmethane - Tetracarboxylic acid or derivatives - Hydroxybenzoic acid - Salicylic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid - Benzoic acid - Benzoic acid or derivatives - 2-halophenol - 2-chlorophenol - Benzoyl - Styrene - Halobenzene - Phenol - Chlorobenzene - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Benzenoid - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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