Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O)=C4)[C@@H]1C[C@@H](O)[C@@]2(O)CC=C

InChIKey

InChIKey=KIJLZKRIPBDGFS-YQPXSLGVSA-N

Formula

C21H28O3

Mass

328.452

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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-alpha-hydroxysteroid - 16-hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - 1,2-diol - Polyol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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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