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Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C=CC1=C(Br)[C@@]2(C)CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]2C1

InChIKey

InChIKey=LTACGCWGNUTJIK-UGTOYMOASA-N

Formula

C23H27BrO3

Mass

431.37

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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 - 17-halo-steroid - Halo-steroid - Hydroxysteroid - Phenanthrene - Tetralin - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Vinyl halide - Vinyl bromide - Haloalkene - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Bromoalkene - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Carbonyl group - 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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