Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)NC(=O)C=C(C1=CC(C(O)=O)=C(O)C(Cl)=C1)C1=CC(C(O)=O)=C(O)C(Cl)=C1
InChIKey
InChIKey=DALYRJOVRHVELZ-YCQJSWIASA-N
Formula
C44H57Cl2NO7
Mass
782.84
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
Pregnane-type alkaloids Azasteroids and derivatives Diphenylmethanes Cinnamic acid amides Coumaric acids and derivatives Halobenzoic acids Salicylic acids 3-halobenzoic acids Benzoic acids Alkaloids and derivatives O-chlorophenols Benzoyl derivatives Styrenes Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Pregnane-type alkaloid - Steroidal alkaloid - Azasteroid - Diphenylmethane - Cinnamic acid amide - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Hydroxybenzoic acid - Salicylic acid - Salicylic acid or derivatives - Alkaloid or derivatives - Benzoic acid or derivatives - Benzoic acid - Styrene - 2-halophenol - 2-chlorophenol - Benzoyl - Chlorobenzene - Halobenzene - Phenol - Benzenoid - Dicarboxylic acid or derivatives - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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