Compound Identification
SMILES
[Na].CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](CCC=C(C5=CC(C(O)=O)=C(OCC(O)=O)C(Cl)=C5)C5=CC(C(O)=O)=C(OCC(O)=O)C(Cl)=C5)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=LOZBUSQHFYCSBG-CTEURUTLSA-N
Formula
C49H64Cl2NaO10
Mass
906.93
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 Phenoxyacetic acid derivatives 3-halobenzoic acids Halobenzoic acids Benzoic acids Styrenes Phenoxy compounds Benzoyl derivatives Phenol ethers Alkyl aryl ethers Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Carboxylic acids Organic alkali metal salts Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholestane-skeleton - Diphenylmethane - Phenoxyacetate - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Benzoyl - Styrene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid derivative - Organic alkali metal salt - Ether - Carboxylic acid - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - 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