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6-OXO-7-BETA-TRIFLUOROMETHYLESTRADIOL-DIACETATE
SpectraBase Compound ID A5RLBp0NDv6
InChI InChI=1S/C23H25F3O5/c1-11(27)30-13-4-5-14-15-8-9-22(3)17(6-7-18(22)31-12(2)28)19(15)20(23(24,25)26)21(29)16(14)10-13/h4-5,10,15,17-20H,6-9H2,1-3H3/t15-,17+,18+,19-,20-,22+/m1/s1
InChIKey PVIINYQSENGXSK-NEPABGFXSA-N
Mol Weight 438.44 g/mol
Molecular Formula C23H25F3O5
Exact Mass 438.165408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9UK3IUUQLg
Name 6-OXO-7-BETA-TRIFLUOROMETHYLESTRADIOL-DIACETATE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25F3O5
InChI InChI=1S/C23H25F3O5/c1-11(27)30-13-4-5-14-15-8-9-22(3)17(6-7-18(22)31-12(2)28)19(15)20(23(24,25)26)21(29)16(14)10-13/h4-5,10,15,17-20H,6-9H2,1-3H3/t15-,17+,18+,19-,20-,22+/m1/s1
InChIKey PVIINYQSENGXSK-NEPABGFXSA-N
Literature Reference Author J.C.BLAZEJEWSKI,M.P.WILMSHURST,M.D.POPKIN,C.WAKSELMAN,G.LAUR ENT,D.NONCLERCQ,A.CL
Literature Reference Citation BIOORG.MED.CHEM.,11,335(2003)
Literature Reference DOI 10.1016/S0968-0896(02)00457-1
Molecular Weight 438.444 g/mol
Sample ID 38502
Solvent CDCl3