Structure Information
Structure

Compound Identification

SMILES

[H]C12CCC(=O)C1(C)CC([H])(ON(=O)=O)C1(O)C3=CC=C(O)C=C3CCC21[H]

InChIKey

InChIKey=QKNRTYSNSQAVCD-UHFFFAOYSA-N

Formula

C18H21NO6

Mass

347.367

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