Compound Identification
SMILES
CCC(=O)OC1CCC2C3CCC4=CC(=O)C=CC4(C)C3(Br)C(Cl)CC12C
InChIKey
InChIKey=ITEKYCDBTAGHCA-UHFFFAOYSA-N
Formula
C22H28BrClO3
Mass
455.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Steroid esters
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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
Steroid esters
Intermediate Tree Nodes
Not available
Direct Parent
Steroid esters
Alternative Parents
Androgens and derivatives Halogenated steroids 3-oxo delta-1,4-steroids Delta-1,4-steroids Cyclic ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides Alkyl bromides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Steroid ester - Androgen-skeleton - Androstane-skeleton - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - 11-halo-steroid - Halo-steroid - Oxosteroid - Delta-1,4-steroid - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organohalogen compound - Alkyl bromide - Alkyl chloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organobromide - Organochloride - Organooxygen compound - Alkyl halide - Hydrocarbon derivative - Aliphatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as steroid esters. These are compounds containing a steroid moiety which bears a carboxylic acid ester group.
External Descriptors
Not available