Structure Information
Structure

Compound Identification

SMILES

CN(CCCCC[C@@H]1CC2=CC(O)=C(F)C=C2[C@H]2CC[C@@]3(C)[C@@H](CCC3=O)[C@H]12)CCCSCCCC(F)(F)C(F)(F)F

InChIKey

InChIKey=IDVIRVGRDOOLJX-ZISXNKRVSA-N

Formula

C32H45F6NO2S

Mass

621.77

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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 - 17-oxosteroid - Oxosteroid - Hydroxysteroid - Halo-steroid - 2-halo-steroid - 3-hydroxysteroid - Phenanthrene - Tetralin - 2-halophenol - 2-fluorophenol - Phenol - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Aryl halide - Aryl fluoride - Tertiary aliphatic amine - Ketone - Tertiary amine - Dialkylthioether - Sulfenyl compound - Thioether - Organosulfur compound - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - 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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