Compound Identification
SMILES
CC(C)CCCC(C)C1CCC2C3CCC4CC(CCCC(C5=CC(C(O)=NC(CCC(O)=O)C(O)=O)=C(O)C(Cl)=C5)C5=CC(C(O)=NC(CCC(O)=O)C(O)=O)=C(O)C(Cl)=C5)CCC4(C)C3CCC12C
InChIKey
InChIKey=GIPAVLQUDOLMRW-UHFFFAOYSA-N
Formula
C55H76Cl2N2O12
Mass
1028.12
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
Glutamic acid and derivatives Tetracarboxylic acids and derivatives N-acyl-alpha amino acids Diphenylmethanes O-chlorophenols Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidic acids Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Glutamic acid or derivatives - Diphenylmethane - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Tetracarboxylic acid or derivatives - Alpha-amino acid or derivatives - 2-halophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Carboximidic acid derivative - Carboximidic acid - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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