Compound Identification
SMILES
COC(=O)[C@H](CCCC(C)C)[C@H]1CCC2C3CC[C@H]4CC(=O)C=C[C@]4(C)C3CC[C@]12C
InChIKey
InChIKey=LTTLIRHGLXHJJP-BWARMTIOSA-N
Formula
C28H44O3
Mass
428.657
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
Cholesterols and derivatives 3-oxo-5-alpha-steroids 3-oxo delta-1-steroids Delta-1-steroids Cyclohexenones Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol-skeleton - Cholestane-skeleton - Bile acid, alcohol, or derivatives - 3-oxo-delta-1-steroid - 3-oxosteroid - 3-oxo-5-alpha-steroid - Oxosteroid - Delta-1-steroid - Cyclohexenone - Methyl ester - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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