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Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OCCO)=C4[N+]([O-])=O)[C@@H]1CCC2=O

InChIKey

InChIKey=LHXXLCRYWVMSTM-NKSTXHLWSA-N

Formula

C20H25NO5

Mass

359.422

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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 - 1-nitronaphthalene - Tetralin - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Benzenoid - Ketone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Organic salt - Organic zwitterion - 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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