Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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