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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Lipids and lipid-like molecules
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
20-oxosteroids 11-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Beta amino acids and derivatives Benzamides Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Alpha-acyloxy ketones 1,3-dioxolanes Secondary carboxylic acid amides Secondary alcohols Fluorohydrins Carboxylic acid esters Cyclic alcohols and derivatives Cyclic ketones Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Organic oxides Organofluorides Hydrocarbon derivatives Organopnictogen compounds Alkyl fluorides
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