Compound Identification
SMILES
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3C[C@H](Cl)C4=CC(=O)CCC4(C)[C@@]3(F)C(O)CC21C
InChIKey
InChIKey=PELLWZQZIYBXGD-RHWWYLHMSA-N
Formula
C26H34ClFO7
Mass
513.0
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-4-steroids Halogenated steroids Delta-4-steroids Alpha-acyloxy ketones Ketals Cyclohexenones 1,3-dioxolanes Secondary alcohols Carboxylic acid esters Fluorohydrins Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Alkyl fluorides Alkyl chlorides Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Progestogin-skeleton - 20-oxosteroid - 3-oxo-delta-4-steroid - 3-oxosteroid - 9-halo-steroid - 6-halo-steroid - Halo-steroid - Hydroxysteroid - Oxosteroid - 11-hydroxysteroid - Delta-4-steroid - Cyclohexenone - Ketal - Alpha-acyloxy ketone - Cyclic alcohol - Meta-dioxolane - Secondary alcohol - Fluorohydrin - Cyclic ketone - Ketone - Halohydrin - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Alkyl halide - Alkyl fluoride - Organohalogen compound - Organochloride - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Alkyl chloride - Aliphatic 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