Structure Information
Structure

Compound Identification

SMILES

COC1=C2C(C#CCOC3=CC=C4C5CCC6(C)C(O)C(O)CC6C5CCC4=C3)N(C)CCC2=CC2=C1OCO2

InChIKey

InChIKey=JIJBIRWDXBJAGK-UHFFFAOYSA-N

Formula

C33H39NO6

Mass

545.676

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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

Estrane steroids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

17-hydroxysteroid - 16-hydroxysteroid - Hydroxysteroid - Estrane-skeleton - Phenanthrene - Tetralin - Tetrahydroisoquinoline - Benzodioxole - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - Cyclic alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as estrane steroids. These are steroids with a structure based on the estrane skeleton.

External Descriptors

Not available

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