Compound Identification
SMILES
COC(=O)[C@H]1C[C@]2([C@@H](CCC2C2(C)OCCO2)[C@@H]2CCC3=CC=CC=C3[C@H]12)C1=CC=C(Br)C=C1
InChIKey
InChIKey=VCMDELXJZZDDNM-TZTJSSPMSA-N
Formula
C29H33BrO4
Mass
525.483
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Lipids and lipid-like molecules
-
Class
Steroids and steroid derivatives
- Subclass Pregnane steroids
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Class
Steroids and steroid derivatives
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Superclass
Lipids and lipid-like molecules
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Subclass
Pregnane steroids
Intermediate Tree Nodes
Not available
Direct Parent
Pregnane steroids
Alternative Parents
Phenanthrenes and derivatives Tetralins Ketals Bromobenzenes Aryl bromides Methyl esters 1,3-dioxolanes Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pregnane-skeleton - Phenanthrene - Tetralin - Bromobenzene - Ketal - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Methyl ester - Meta-dioxolane - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pregnane steroids. These are steroids with a structure based on the 21-carbon pregnane skeleton.
External Descriptors
Not available