Compound Identification
SMILES
CCCC(=O)OC1=C(C=C(C=C1Cl)C(=CCC[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1)C1=CC(C(O)=O)=C(OC(=O)CCC)C(Cl)=C1)C(O)=O
InChIKey
InChIKey=XWOYIPWJCHICOR-CSJCBADESA-N
Formula
C53H72Cl2O8
Mass
908.05
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
Tetracarboxylic acids and derivatives Diphenylmethanes Acylsalicylic acids 3-halobenzoic acids Phenol esters Halobenzoic acids Benzoic acids Styrenes Phenoxy compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Carboxylic acid esters Carboxylic acids Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Diphenylmethane - Tetracarboxylic acid or derivatives - Acylsalicylic acid or derivatives - Acylsalicylic acid - Phenol ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Styrene - Benzoyl - Phenoxy compound - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - 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