Structure Information
Structure

Compound Identification

SMILES

CC12CCC3C(CCC4=C(C(O)=C(C=C34)[N+]([O-])=O)[N+]([O-])=O)C1CC(O)C2O

InChIKey

InChIKey=LBVHZIPPKRHSGT-UHFFFAOYSA-N

Formula

C18H22N2O7

Mass

378.381

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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 - 17-hydroxysteroid - 16-hydroxysteroid - Hydroxysteroid - 3-hydroxysteroid - Phenanthrene - 2-nitronaphthalene - 1-nitronaphthalene - Tetralin - Nitroaromatic compound - Benzenoid - Cyclic alcohol - Organic nitro compound - Secondary alcohol - C-nitro compound - 1,2-diol - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Polyol - Organic oxoazanium - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - 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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