Vitas-M small molecule compound
(8xi,14xi)-9-fluoro-11,21-dihydroxypregna-1,4,16-triene-3,20-dione
Catalog ID
STL525282
SMILES OCC(=O)C1=CCC2[C@]1(C)CC(O)[C@]1(C2CCC2=CC(=O)C=C[C@]12C)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H25FO4 MW 360.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25FO4/c1-19-10-18(26)21(22)15(14(19)5-6-16(19)17(25)11-23)4-3-12-9-13(24)7-8-20(12,21)2/h6-9,14-15,18,23,26H,3-5,10-11H2,1-2H3/t14?,15?,18?,19-,20-,21-/m0/s1InChIKey
UAEUTSQWOUBCLN-BDQMTFAOSA-NSynonyms
(8xi14xi)9fluoro1121dihydroxypregna1416triene320dione
(9~(R)10~(S)13~(S))9fluoro11hydroxy17(2hydroxyacetyl)1013dimethyl7811121415hexahydro6~(H)cyclopenta(a)phenanthren3one
(9R10S13S)9fluoro11hydroxy17(2hydroxyacetyl)1013dimethyl6789101112131415decahydro3Hcyclopenta(a)phenanthren3one
16395189
InChI=1SC21H25FO4c1191018(26)21(22)15(14(19)5616(19)17(25)1123)4312913(24)7820(1221)2h691415182326H351011H212H3t14?15?18?192021m0s1
MFCD01543990
OCC(=O)C1=CCC2(C@)1(C)CC(O)(C@)1(C2CCC2=CC(=O)C=C(C@)12C)F
ZINC000070664712
ZINC000253500015
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