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)OCC6=CC=CC=C6)=C(O)C(Cl)=C5)C5=CC(C(=O)OCC6=CC=CC=C6)=C(O)C(Cl)=C5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=AICJADYOFKRFEV-DXOVQKFFSA-N
Formula
C59H72Cl2O6
Mass
948.12
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
Diphenylmethanes o-Hydroxybenzoic acid esters 3-halobenzoic acids and derivatives Benzyloxycarbonyls Salicylic acid and derivatives Benzoyl derivatives Styrenes O-chlorophenols Chlorobenzenes Aryl chlorides Vinylogous acids Carboxylic acid esters Hydrocarbon derivatives Organooxygen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Diphenylmethane - O-hydroxybenzoic acid ester - Benzoate ester - Benzyloxycarbonyl - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Styrene - 2-chlorophenol - 2-halophenol - Benzoyl - Phenol - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - Organochloride - 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