3-Chlorofluocinolone acetonide 21-acetate

[2-[(1S,2S,4R,8S,9S,11S,12R,13S)-16-chloro-12,19-difluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,16,18-trien-8-yl]-2-oxoethyl] acetate

Also Known As: 3-Cl-FA-Ac|3-Chlorofluocinolone acetonide 21-acetate|3-Chlorofluocinolone 16,17-acetonide 21-acetate|2-[(4as,4br,5s,6as,6bs,9ar,10as,10bs)-2-chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bh-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate|Pregna-1,3,5-trien-20-one, 21-(acetyloxy)-3-chloro-6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-|2-(2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate|2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH,8H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate

Molecular Formula	C26H31ClF2O6
Molecular Weight	512.17773 g/mol
LogP	4.6
Topological Polar Surface Area	82.1 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	512.17773
Monoisotopic Mass	512.17773
Heavy Atoms	35
Complexity	1100.0

Chemical Identifiers

CAS Number	6320-11-2
SMILES	CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(C=CC(=C5)Cl)C)F)F)O)C)OC(O2)(C)C
InChIKey	ODRAMFDLVCCUCI-YRCSZXIRSA-N