Identification Common Name Isoflupredone acetate Class Small Molecule Description Contaminant Sources ToxCast & Tox21 Chemicals Contaminant Type Not Available Chemical Structure Synonyms Value Source U-6013 Kegg ISOFLUPREDONE acetic acid Generator Biorinil, (6alpha,11beta)-isomer MeSH 9 alpha-Fluoroprednisolone 21-acetate MeSH Biorinil MeSH Isoflupredone acetate KEGG [2-[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-Dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetic acid Generator 2-[(1R,2S,10S,11S,14R,15S,17S)-1-Fluoro-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetic acid Generator
Chemical Formula C23 H29 FO6 Average Molecular Mass 420.477 g/mol Monoisotopic Mass 420.195 g/mol CAS Registry Number 338-98-7 IUPAC Name 2-[(1R,2S,10S,11S,14R,15S,17S)-1-fluoro-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-dien-14-yl]-2-oxoethyl acetate Traditional Name predef SMILES [H][C@@]12CC[C@](O)(C(=O)COC(C)=O)[C@@]1(C)C[C@]([H])(O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C InChI Identifier InChI=1S/C23H29FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h6,8,10,16-18,27,29H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1 InChI Key ZOCUOMKMBMEYQV-GSLJADNHSA-N Chemical Taxonomy Description 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. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Steroids and steroid derivatives Sub Class Pregnane steroids Direct Parent Gluco/mineralocorticoids, progestogins and derivatives Alternative Parents Substituents Progestogin-skeleton
20-oxosteroid
3-oxo-delta-1,4-steroid
3-oxosteroid
17-hydroxysteroid
11-hydroxysteroid
11-beta-hydroxysteroid
Oxosteroid
9-halo-steroid
Halo-steroid
Hydroxysteroid
Delta-1,4-steroid
Alpha-acyloxy ketone
Alpha-hydroxy ketone
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Cyclic ketone
Secondary alcohol
Fluorohydrin
Halohydrin
Ketone
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Alcohol
Organic oxide
Organic oxygen compound
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Organofluoride
Organohalogen compound
Alkyl fluoride
Alkyl halide
Aliphatic homopolycyclic compound Molecular Framework Aliphatic homopolycyclic compounds External Descriptors 
