Compound Identification
SMILES
CC(C)[C@@H](CC[C@@H](C)[C@H]1CCC2C3C=CC4=CC(=O)[C@@H]5O[C@@H]5[C@]4(C)C3CC[C@]12C)OC(=O)CCl
InChIKey
InChIKey=XXAKALIOPYCHSH-NFRDVIHESA-N
Formula
C29H41ClO4
Mass
489.09
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
Steroid esters 1,2-epoxy-3-oxosteroids Cyclohexenones Alpha-halocarboxylic acid derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - 1,2-epoxy-3-oxo-steroid - 3-oxosteroid - Oxosteroid - Cyclohexenone - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Ketone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Alkyl chloride - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aliphatic heteropolycyclic 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