Compound Identification
SMILES
CC(CCC(O)=O)C1CCC2C3CCC4CC(CCC4(C)C3CC(OC(=O)CC3=CC=C(C=C3)N(CCCl)CCCl)C12C)OC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl
InChIKey
InChIKey=YHPXZUQZLHUBSP-UHFFFAOYSA-N
Formula
C48H66Cl4N2O6
Mass
908.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Bile acids, alcohols and derivatives
Alternative Parents
Steroid esters Tricarboxylic acids and derivatives Nitrogen mustard compounds Dialkylarylamines Aniline and substituted anilines Carboxylic acid esters Amino acids Carboxylic acids Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Tricarboxylic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Nitrogen mustard - Benzenoid - Monocyclic benzene moiety - Amino acid - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as bile acids, alcohols and derivatives. These are organic compounds containing an alcohol or acid derivative of cholic acid.
External Descriptors
Not available