Compound Identification
SMILES
CC(C)CCCC(C)C1CCC2C3CC([N+]([O-])=O)C4(Cl)CC(CCC4(C)C3CCC12C)OC(C)=O
InChIKey
InChIKey=IEVVBUBYACFXQB-UHFFFAOYSA-N
Formula
C29H48ClNO4
Mass
510.16
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
-
Subclass
Cholestane steroids
- Level 5 Cholesterols and derivatives
-
Subclass
Cholestane steroids
-
Class
Steroids and steroid derivatives
-
Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Cholestane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Cholesterols and derivatives
Alternative Parents
Steroid esters Halogenated steroids Nitronaphthalenes Carboxylic acid esters C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Steroid ester - 5-halo-steroid - Halo-steroid - 1-nitronaphthalene - 2-nitronaphthalene - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as cholesterols and derivatives. These are compounds containing a 3-hydroxylated cholestane core.
External Descriptors
Not available