Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)[C@H]1CC[C@@]3(C)[C@@H](CC(=CC4=CC=C(C=C4)C#N)C3=O)[C@@H]1CC2

InChIKey

InChIKey=NRMJRWMAKLFLKZ-QUUPDEESSA-N

Formula

C27H27NO2

Mass

397.518

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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 homopolycyclic compounds

Substituents

Estrane-skeleton - 17-oxosteroid - Oxosteroid - Phenanthrene - Tetralin - Anisole - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Nitrile - Carbonitrile - Ether - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homopolycyclic 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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