Structure Information
Structure

Compound Identification

SMILES

CCC#CC1=CCC2C3CCC4=CC(=O)CC[C@@H]4C3CC[C@]12C

InChIKey

InChIKey=DFXATXKINPGFOM-KXZHSFONSA-N

Formula

C22H28O

Mass

308.465

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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

3-oxosteroids Cyclohexenones Organic oxides Hydrocarbon derivatives

Molecular Framework

Aliphatic homopolycyclic compounds

Substituents

Estrogen-skeleton - Oxosteroid - 3-oxosteroid - Cyclohexenone - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic 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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