Compound Identification
SMILES
CC(C)CCCC(C)C1CCC2C3CC(O)C4(Br)CC(CCC4(C)C3CCC12C)OC(C)=O
InChIKey
InChIKey=QOKSSEORHJPLLF-UHFFFAOYSA-N
Formula
C29H49BrO3
Mass
525.612
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
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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 6-hydroxysteroids Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Bromohydrins Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Cholesterol - Steroid ester - 5-halo-steroid - Halo-steroid - Hydroxysteroid - 6-hydroxysteroid - Cyclic alcohol - Bromohydrin - Carboxylic acid ester - Secondary alcohol - Halohydrin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl bromide - Organohalogen 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