Compound Identification
SMILES
N.CC(C)CCCC(C)[C@H]1CCC2C3C[C@@H](CCC=C(C4=CC(C(O)=O)=C(O)C(Cl)=C4)C4=CC(C(O)=O)=C(O)C(Cl)=C4)[C@H]4CCCC[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=CYIJDVSCNOSEDN-SLAKFDJYSA-N
Formula
C45H63Cl2NO6
Mass
784.9
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 3-halobenzoic acids Salicylic acids Halobenzoic acids Benzoic acids Styrenes Benzoyl derivatives O-chlorophenols Chlorobenzenes Aryl chlorides Vinylogous acids Carboxylic acids Organochlorides Organooxygen compounds Amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Diphenylmethane - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoic acid or derivatives - 2-halophenol - 2-chlorophenol - Benzoyl - Styrene - Chlorobenzene - Halobenzene - Phenol - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Vinylogous acid - Carboxylic acid derivative - Carboxylic acid - Amine - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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