Structure Information
Structure

Compound Identification

SMILES

CC1CC2=C(C=CC(O)=C2)C2[C@H](C[C@]3(C)[C@@H](O)CCC3[C@H]12)O[N+]([O-])=O

InChIKey

InChIKey=JHSXXDAPXQEHEW-ZLYJGEMTSA-N

Formula

C19H25NO5

Mass

347.411

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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 - 17-hydroxysteroid - Phenanthrene - Tetralin - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Cyclic alcohol - Organic nitrate - Alkyl nitrate - Organic nitro compound - Secondary alcohol - Organic nitric acid or derivatives - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - 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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