Compound Identification
SMILES
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C(=O)[C@H]4C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@]12C
InChIKey
InChIKey=IZBIOKRFDKMUEU-YYMTUFQNSA-N
Formula
C25H39FO4
Mass
422.581
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
Halogenated steroids 7-hydroxysteroids 6-oxosteroids Fatty acid methyl esters Methyl esters Secondary alcohols Ketones Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - 3-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 7-hydroxysteroid - 6-oxosteroid - Fatty acid methyl ester - Fatty acid ester - Fatty acyl - Methyl ester - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Alcohol - Alkyl fluoride - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Aliphatic 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