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)OC(C)C)=C(O)C(Cl)=C5)C5=CC(C(=O)OC(C)C)=C(O)C(Cl)=C5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=KCQSPSQLSCOINC-SCCGAENTSA-N
Formula
C51H72Cl2O6
Mass
852.03
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
Diphenylmethanes o-Hydroxybenzoic acid esters Salicylic acid and derivatives 3-halobenzoic acids and derivatives Styrenes O-chlorophenols Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous acids Carboxylic acid esters Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Diphenylmethane - O-hydroxybenzoic acid ester - Benzoate ester - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - 2-halophenol - 2-chlorophenol - Benzoyl - Styrene - Chlorobenzene - Phenol - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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