Structure Information
Structure

Compound Identification

SMILES

Cl.C[C@]12C[C@@H]([C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1CCC2F)C1=CC=C(OCCN2CCCCC2)C=C1

InChIKey

InChIKey=KSIBWEUBVLTGDN-VUPXDPLHSA-N

Formula

C31H41ClFNO2

Mass

514.12

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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 heteropolycyclic compounds

Substituents

Estrogen-skeleton - 3-hydroxysteroid - Hydroxysteroid - 17-halo-steroid - Halo-steroid - Phenanthrene - Tetralin - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Piperidine - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Alkyl fluoride - Hydrochloride - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic 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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