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21-Carboxy Dexamethasone

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For Research Use Only | Not For Clinical Use
CATAPS84449150
CAS84449-15-0
Synonyms(11β,16α)-9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxo-pregna-1,4-dien-21-oic acid
IUPAC Name2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-acetic acid
Molecular Weight406.44
Molecular FormulaC22H27FO6
Canonical SMILESC[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(=O)O
InChIInChI=1S/C22H27FO6/c1-11-8-15-14-5-4-12-9-13(24)6-7-19(12,2)21(14,23)16(25)10-20(15,3)22(11,29)17(26)18(27)28/h6-7,9,11,14-16,25,29H,4-5,8,10H2,1-3H3,(H,27,28)/t11-,14+,15+,16+,19+,20+,21+,22+/m1/s1
Accurate Mass406.1792
FormatNeat
SubcategorySteroids and derivatives, Dexamethasone and derivatives
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