Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)CC=C(C1=CC(C(O)=O)=C(O)C(Cl)=C1)C1=CC(C(O)=O)=C(O)C(Cl)=C1
InChIKey
InChIKey=HKDLJIPTMAJYTM-ZZVXJDMMSA-N
Formula
C45H59Cl2NO7
Mass
796.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Cholestane 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
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholestane steroids
Alternative Parents
Pregnane-type alkaloids Azasteroids and derivatives Diphenylmethanes Salicylic acids 3-halobenzoic acids Halobenzoic acids Alkaloids and derivatives Benzoic acids Benzoyl derivatives O-chlorophenols Styrenes Chlorobenzenes Aryl chlorides N-acyl amines Dicarboxylic acids and derivatives Vinylogous acids Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - Diphenylmethane - Salicylic acid or derivatives - Salicylic acid - Hydroxybenzoic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Alkaloid or derivatives - 2-halophenol - Styrene - Benzoyl - 2-chlorophenol - Halobenzene - Chlorobenzene - Phenol - Aryl chloride - N-acyl-amine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholestane steroids. These are steroids with a structure containing the 27-carbon cholestane skeleton.
External Descriptors
Not available