Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=CC(O)=C(F)C=C34)[C@@H]1C[C@H](Br)C2=O

InChIKey

InChIKey=DPLVOGDCNDQEJC-RUKVYPIJSA-N

Formula

C18H20BrFO2

Mass

367.258

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Estrane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Estrogens and derivatives

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Estrogen-skeleton - 3-hydroxysteroid - 2-halo-steroid - 16-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 17-oxosteroid - Phenanthrene - Tetralin - 2-halophenol - 2-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Aryl halide - Aryl fluoride - Alpha-haloketone - Ketone - Organohalogen compound - Organooxygen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Organobromide - Organofluoride - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as estrogens and derivatives. These are steroids with a structure containing a 3-hydroxylated estrane.

External Descriptors

Not available

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