Compound Identification
SMILES
CC(=O)OCC(=O)[C@@]1(O)[C@@H](C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(C)=O
InChIKey
InChIKey=XGMPVBXKDAHORN-SRCWDWFASA-N
Formula
C25H31FO8
Mass
478.513
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
Steroid esters 20-oxosteroids 11-beta-hydroxysteroids 17-hydroxysteroids 3-oxo delta-1,4-steroids Halogenated steroids Delta-1,4-steroids Alpha-acyloxy ketones Dicarboxylic acids and derivatives Alpha-hydroxy ketones Tertiary alcohols Cyclic ketones Cyclic alcohols and derivatives Carboxylic acid esters Secondary alcohols Fluorohydrins Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aliphatic homopolycyclic compounds
Substituents
Progestogin-skeleton - Steroid ester - 20-oxosteroid - 3-oxo-delta-1,4-steroid - 3-oxosteroid - 17-hydroxysteroid - 11-hydroxysteroid - 11-beta-hydroxysteroid - 9-halo-steroid - Oxosteroid - Halo-steroid - Hydroxysteroid - Delta-1,4-steroid - Alpha-acyloxy ketone - Dicarboxylic acid or derivatives - Alpha-hydroxy ketone - Cyclic alcohol - Tertiary alcohol - Ketone - Carboxylic acid ester - Cyclic ketone - Fluorohydrin - Secondary alcohol - Halohydrin - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organofluoride - Alcohol - Alkyl fluoride - Organooxygen compound - Alkyl halide - Aliphatic homopolycyclic 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