Structure Information
Structure

Compound Identification

SMILES

CC(C)CO[C@H]1C(=O)C[C@H]2[C@@H]3CCC4=C(C=CC(O)=C4)[C@H]3CC[C@]12C

InChIKey

InChIKey=FNTUVXCGYIKWBU-DGYCAGFBSA-N

Formula

C22H30O3

Mass

342.479

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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 - Hydroxysteroid - 16-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Ketone - Cyclic ketone - Ether - Dialkyl ether - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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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