Structure Information
Structure

Compound Identification

SMILES

CC1=CC(CC(O)=O)=C(NC2=C(F)C=CC=C2Cl)C=C1.C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OC(=O)N(CCCl)CCCl)=C4)[C@@H]1CC[C@@H]2OP(O)(O)=O

InChIKey

InChIKey=KVAMINVBDMKXDQ-CUGULWCMSA-N

Formula

C38H45Cl3FN2O8P

Mass

814.11

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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

Not available

Substituents

Estrane-skeleton - Phenanthrene - Tetralin - Nitrogen mustard - Aniline or substituted anilines - Aminotoluene - Halobenzene - Fluorobenzene - Chlorobenzene - Toluene - Monoalkyl phosphate - Organic phosphoric acid derivative - Monocyclic benzene moiety - Primary aromatic amine - Phosphoric acid ester - Aryl fluoride - Alkyl phosphate - Aryl chloride - Benzenoid - Aryl halide - Carbamic acid ester - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Alkyl halide - Carbonyl group - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organochloride - Organic nitrogen compound - Organohalogen 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

Not available

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