Compound Identification
SMILES
CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CCC=C(C5=CC(C(=O)N[C@@H](CC(C)C)C(O)=O)=C(O)C(Cl)=C5)C5=CC(C(=O)N[C@@H](CC(C)C)C(O)=O)=C(O)C(Cl)=C5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=OUQIOEPTFHCWPD-RNXDQVSOSA-N
Formula
C57H82Cl2N2O8
Mass
994.19
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
-
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
Leucine and derivatives Diphenylmethanes Hippuric acids N-acyl-alpha amino acids 3-halobenzoic acids and derivatives Salicylamides Styrenes Benzoyl derivatives O-chlorophenols Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Carboxylic acids Hydrocarbon derivatives Organochlorides Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Leucine or derivatives - Diphenylmethane - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - Salicylamide - Benzamide - Benzoic acid or derivatives - Benzoyl - 2-halophenol - Styrene - 2-chlorophenol - Phenol - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organohalogen compound - Organooxygen 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