Structure Information
Structure

Compound Identification

SMILES

CC1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)C3O[C@H]3C(=O)C(NC(C)=O)=C12

InChIKey

InChIKey=NOVVCXSVXDAEMD-NAUNKBMGSA-N

Formula

C22H29NO4

Mass

371.477

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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

Aliphatic heteropolycyclic compounds

Substituents

Estrogen-skeleton - 1,2-epoxy-3-oxo-steroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 17-oxosteroid - Oxosteroid - Delta-4-steroid - Cyclohexenone - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Ketone - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic 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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