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3,3-DIFLUORO-5-BETA-CHOLAN-24-OIC-ACID
SpectraBase Compound ID J7q96PSdheX
InChI InChI=1S/C24H38F2O2/c1-15(4-9-21(27)28)18-7-8-19-17-6-5-16-14-24(25,26)13-12-22(16,2)20(17)10-11-23(18,19)3/h15-20H,4-14H2,1-3H3,(H,27,28)/t15-,16-,17+,18-,19+,20+,22+,23-/m1/s1
InChIKey LJHBMSCRCXTPDO-QFQZRAANSA-N
Mol Weight 396.6 g/mol
Molecular Formula C24H38F2O2
Exact Mass 396.283987 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lvHTrPbN7S
Name 3,3-DIFLUORO-5-BETA-CHOLAN-24-OIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H38F2O2
InChI InChI=1S/C24H38F2O2/c1-15(4-9-21(27)28)18-7-8-19-17-6-5-16-14-24(25,26)13-12-22(16,2)20(17)10-11-23(18,19)3/h15-20H,4-14H2,1-3H3,(H,27,28)/t15-,16-,17+,18-,19+,20+,22+,23-/m1/s1
InChIKey LJHBMSCRCXTPDO-QFQZRAANSA-N
Literature Reference Author E.SIEVAENEN,V.NOPONEN,V.KRAL,T.BRIZA,E.KOLEHMAINEN
Literature Reference Citation MAGN.RES.CHEM.,46,392(2008)
Literature Reference DOI 10.1002/mrc.2190
Solvent CDCl3
Source File Reference UWIR17481