Compound Identification
SMILES
CCOC(=O)CCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
InChIKey
InChIKey=MRTBVEZPPZIQIP-UHFFFAOYSA-N
Formula
C26H40O3
Mass
400.603
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
3-oxo delta-4-steroids Delta-4-steroids Cyclohexenones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Bile acid, alcohol, or derivatives - 3-oxo-delta-4-steroid - 3-oxosteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Carboxylic acid ester - Cyclic ketone - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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