Compound Identification
SMILES
COC(=O)CCC(C)[C@H]1CCC2C3CC[C@@H]4C[C@@H](CC[C@]4(C)C3=C(NC(=O)OCC3=CC=CC=C3)C(=O)[C@]12C)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=QBOZRQWOSGTZBC-DDIIQGCUSA-N
Formula
C40H49NO7
Mass
655.832
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 Benzyloxycarbonyls Benzoic acid esters Benzoyl derivatives Fatty acid methyl esters Cyclohexenones Methyl esters Carbamate esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 12-oxosteroid - Oxosteroid - Benzoate ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Fatty acid ester - Fatty acid methyl ester - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Methyl ester - Carbamic acid ester - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen 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