CAS 1879-77-2 Doxybetasol - Analytical Products / Alfa Chemistry

CAT	APS1879772
CAS	1879-77-2
Structure
Synonyms	Betamethasone Valerate Imp. B (EP), Doxybetasol,(11β,16β)-9-Fluoro-11,17-dihydroxy-16-methyl-pregna-1,4-diene-3,20-dione, Doxibetasol, 21-Deoxybetamethasone, 9-Fluoro-11β,17-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione, Pregna-1,4-diene-3,20-dione, 9-fluoro-11β,17-dihydroxy-16β-methyl- (7CI,8CI)
IUPAC Name	(8S,9R,10S,11S,13S,14S,16S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Molecular Weight	376.46
Molecular Formula	C22H29FO4
Canonical SMILES	C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C
InChI	InChI=1S/C22H29FO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3/t12-,16-,17-,18-,19-,20-,21-,22-/m0/s1