Structure Information
Structure

Compound Identification

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OC(=O)N(CCCl)CCCl)=C4)[C@@H]1CC[C@@H]2O

InChIKey

InChIKey=FRPJXPJMRWBBIH-RBRWEJTLSA-N

Formula

C23H31Cl2NO3

Mass

440.41

Export to:

JSON SDF CSV

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 - Hydroxysteroid - 17-hydroxysteroid - Phenanthrene - Tetralin - Nitrogen mustard - Benzenoid - Cyclic alcohol - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Alkyl chloride - Alcohol - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Alkyl halide - Organic oxygen compound - 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

CHEBI:4868 : carbamate ester - organochlorine compound - 17beta-hydroxy steroid
LIPIDMAPS (LMST02010038) : C18 steroids (estrogens) and derivatives
KEGG (C11228) : C18 steroids (estrogens) and derivatives - Estrane and derivatives

Previous Back Next