Structure Information
Structure

Compound Identification

SMILES

CC[C@H]1C[C@@]2(C)[C@@H](C[C@H]([18F])C2=O)[C@@H]2CCC3=C(C=CC(OS(=O)(=O)C(F)(F)F)=C3)[C@@H]12

InChIKey

InChIKey=OMGFKBJJOHHFOZ-HAGKHEJUSA-N

Formula

C21H24F4O4S

Mass

447.48

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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

Estrane steroids

Alternative Parents

Molecular Framework

Aromatic homopolycyclic compounds

Substituents

Estrane-skeleton - 16-halo-steroid - Halo-steroid - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - Trifluoromethanesulfonate - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Organosulfonic acid or derivatives - Sulfonyl - Organic sulfonic acid or derivatives - Alpha-haloketone - Methanesulfonate - Ketone - Trihalomethane - Organooxygen compound - Organofluoride - Organohalogen compound - Halomethane - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Alkyl halide - Organosulfur compound - Alkyl fluoride - Aromatic homopolycyclic compound

Description

This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.

External Descriptors

Not available

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