Compound Identification
SMILES
COC(=O)CCC(C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3=C(NC(=O)C(C)(C)C)C(=O)[C@]12C)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=OONLKWWDTYPHEA-HFLAGSFCSA-N
Formula
C37H51NO6
Mass
605.816
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 Secondary carboxylic acid amides Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Oxosteroid - 12-oxosteroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Fatty acid methyl ester - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Ketone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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