Compound Identification
SMILES
COC(=O)CCC(C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3=C(N)C(=O)[C@]12C)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=URNYRPARVZDDIM-BKKOHOGVSA-N
Formula
C32H43NO5
Mass
521.698
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
Oxosteroids Benzoic acid esters Benzoyl derivatives Fatty acid methyl esters Cyclohexenones Methyl esters Amino acids and derivatives Monocarboxylic acids and derivatives Enamines Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 12-oxosteroid - Oxosteroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Fatty acid ester - Fatty acid methyl ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Ketone - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Organonitrogen compound - Primary amine - Carbonyl group - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary aliphatic amine - 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