Compound Identification
SMILES
CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CC(COC(=O)N(CCCl)CCCl)COC(=O)N(CCCl)CCCl
InChIKey
InChIKey=VLTFBUDBDAIPSD-ZVWFRFSCSA-N
Formula
C53H88Cl4N2O6
Mass
991.1
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 Delta-5-steroids Nitrogen mustard compounds Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - Steroid ester - Delta-5-steroid - Nitrogen mustard - Carbamic acid ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alkyl chloride - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organooxygen compound - Aliphatic 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