Compound Identification
SMILES
CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C)C(C)(O)CC(O)=O
InChIKey
InChIKey=XRRCTGCBOQXCHA-UHFFFAOYSA-N
Formula
C25H33ClO6
Mass
464.98
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
Steroid esters Steroid acids Hydroxysteroids Halogenated steroids 3-oxosteroids Cyclohexenones Dicarboxylic acids and derivatives Tertiary alcohols Carboxylic acid esters Vinyl chlorides Chloroalkenes Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - 20-hydroxysteroid - Steroid ester - Steroid acid - 3-oxosteroid - 6-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - Cyclohexenone - Dicarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid ester - Ketone - Cyclic ketone - Vinyl chloride - Carboxylic acid derivative - Vinyl halide - Carboxylic acid - Chloroalkene - Haloalkene - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organochloride - Organohalogen compound - 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