Compound Identification
SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)C3=C[C@H](O)[C@]12C)OC(=O)C1=CC=CC=C1
InChIKey
InChIKey=KAUSOXBWUTVQHI-XAQPMWJTSA-N
Formula
C32H44O5
Mass
508.699
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Bile acids, alcohols and derivatives
Intermediate Tree Nodes
Hydroxy bile acids, alcohols and derivatives
Direct Parent
Monohydroxy bile acids, alcohols and derivatives
Alternative Parents
12-hydroxysteroids Benzoic acid esters Benzoyl derivatives Fatty acid methyl esters Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - 12-hydroxysteroid - Hydroxysteroid - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Fatty acid methyl ester - Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as monohydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or any of their derivatives bearing a hydroxyl group.
External Descriptors
Not available