Compound Identification
SMILES
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CCC4=C(C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)[N+]([O-])=O
InChIKey
InChIKey=OMFRUEYEIHQVJC-WIBHACHGSA-N
Formula
C22H33NO4
Mass
375.509
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
21-hydroxysteroids 3-oxo delta-4-steroids Delta-4-steroids Nitronaphthalenes Cyclohexenones C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Primary alcohols Organonitrogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Monohydroxy bile acid, alcohol, or derivatives - 21-hydroxysteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - Hydroxysteroid - Oxosteroid - Delta-4-steroid - 1-nitronaphthalene - Cyclohexenone - Organic nitro compound - Ketone - C-nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic zwitterion - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary alcohol - Aliphatic homopolycyclic 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