Structure Information
Structure

Compound Identification

SMILES

CC(CNC(=O)C1=CC=CC=C1)C(=O)OCC(=O)[C@@]12OC(OC1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3(F)C(O)C[C@]21C)C1=CC=C(C=C1)N(C)C

InChIKey

InChIKey=NHLSSOMFJSWGTD-VYWRQCFVSA-N

Formula

C41H47FN2O8

Mass

714.831

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Subclass

Pregnane steroids

Intermediate Tree Nodes

Not available

Direct Parent

Gluco/mineralocorticoids, progestogins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 9-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 11-hydroxysteroid - Delta-1,4-steroid - Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzoyl - Alpha-acyloxy ketone - Benzenoid - Monocyclic benzene moiety - Cyclic alcohol - Meta-dioxolane - Cyclic ketone - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Carboxylic acid ester - Fluorohydrin - Halohydrin - Ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Oxacycle - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Amine - Organic nitrogen compound - Organofluoride - Alkyl halide - Organic oxide - Alcohol - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.

External Descriptors

Not available

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