Fluocinonide Impurity 12 structure

Fluocinonide Impurity 12

[2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl] acetate

Also Known As: Fluocinonide Impurity 12|EINECS 223-503-9|Fluocinolone Acetonide Impurity 23|21-O-acetyl 1,2-dihydrofluocinolone acetonide|6alpha,9-Difluoro-11beta,21-dihydroxy-16alpha,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione 21-acetate|2-[(4as,4br,5s,6as,6bs,9ar,10as,10bs,12s)-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bh-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate|2-((2S,6aS,6bR,7S,8aS,8bS,11aR,12aS,12bS)-2,6b-difluoro-7-hydroxy-6a,8a,10,10-tetramethyl-4-oxo-1,2,4,5,6,6a,6b,7,8,8a,11a,12,12a,12b-tetradecahydro-8bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-8b-yl)-2-oxoethyl acetate|2-(4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate|2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl acetate|2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-Difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate|21-(Acetyloxy)-6alpha,9-difluoro-11beta-hydroxy-16alpha,17-[(1-methylethylidene)bisoxy]pregn-4-ene-3,20-dione|21-acetoxy-6|A,9|A-difluoro-11|A-hydroxy-16|A,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione|Pregn-4-ene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (6alpha,11beta,16alpha)-|Pregn-4-ene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6|A,11|A,16|A)-

CAS: 3932-49-8
Molecular Formula C26H34F2O7
Molecular Weight 496.22726 g/mol
LogP 3.16
Topological Polar Surface Area 99.13 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 3
Exact Mass 496.22726
Heavy Atoms 35
Complexity 1025.2

Chemical Identifiers

CAS Number 3932-49-8
SMILES CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3C[C@@H](C5=CC(=O)CC[C@@]54C)F)F)O)C)OC(O2)(C)C

Product Overview

Fluocinonide Impurity 12 (CAS 3932-49-8), with molecular formula C26H34F2O7 and molecular weight 496.22726 g/mol. IUPAC: [2-[(1S,2S,4R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-8-yl]-2-oxoethyl] acetate.

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