Compound Identification
SMILES
[Na].CCCCC(=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(C)CCCC(C)C)[C@@]4(C)CC[C@H]23)C1)C1=CC(C(O)=O)=C(OC(=O)CCCC)C(Cl)=C1)C(O)=O
InChIKey
InChIKey=QKGMTMLISPESBF-HZLKBENASA-N
Formula
C55H76Cl2NaO8
Mass
959.09
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 Acylsalicylic acids Phenol esters 3-halobenzoic acids Halobenzoic acids Benzoic acids Styrenes Phenoxy compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Dicarboxylic acids and derivatives Carboxylic acid esters Organic alkali metal salts Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Diphenylmethane - 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 - Phenoxy compound - Benzoyl - Styrene - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Carbonyl group - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organic oxide - 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