Compound Identification
SMILES
CC(C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CC(=O)C12C)C(=O)C1=NCC(C)C1
InChIKey
InChIKey=WKWLRYIJQILBLO-UHFFFAOYSA-N
Formula
C27H39NO4
Mass
441.612
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
6-oxosteroids 3-hydroxysteroids Pyrrolines Secondary alcohols Ketones Ketimines Cyclic alcohols and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - 22-oxosteroid - 21-oxosteroid - 3-hydroxysteroid - Hydroxysteroid - 12-oxosteroid - Oxosteroid - 6-oxosteroid - Cyclic alcohol - Pyrroline - Ketimine - Ketone - Secondary alcohol - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Organic nitrogen compound - Imine - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic heteropolycyclic 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