Compound Identification
SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CC(=O)C1=CC=CC=C1
InChIKey
InChIKey=NKNWYDXJGMPCBO-HFXIOGIPSA-N
Formula
C36H54O3
Mass
534.825
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 Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Beta-keto acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Cholesterol - Steroid ester - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl alkyl ketone - Aryl ketone - Beta-keto acid - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic 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