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3-(BENZENESULFONYL)-DIFLUOROMETHYL-5-ALPHA-CHOLESTAN-3-OL
SpectraBase Compound ID EWIdud0Ev9K
InChI InChI=1S/C34H52F2O3S/c1-23(2)10-9-11-24(3)28-16-17-29-27-15-14-25-22-33(37,21-20-31(25,4)30(27)18-19-32(28,29)5)34(35,36)40(38,39)26-12-7-6-8-13-26/h6-8,12-13,23-25,27-30,37H,9-11,14-22H2,1-5H3/t24-,25+,27+,28-,29+,30+,31+,32-,33+/m1/s1
InChIKey NUMXQQGQOLDWNG-LZQYUXOOSA-N
Mol Weight 578.8 g/mol
Molecular Formula C34H52F2O3S
Exact Mass 578.360523 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxGqqcTdUS0
Name 3-(BENZENESULFONYL)-DIFLUOROMETHYL-5-ALPHA-CHOLESTAN-3-OL
Compound Number 3M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H52F2O3S
InChI InChI=1S/C34H52F2O3S/c1-23(2)10-9-11-24(3)28-16-17-29-27-15-14-25-22-33(37,21-20-31(25,4)30(27)18-19-32(28,29)5)34(35,36)40(38,39)26-12-7-6-8-13-26/h6-8,12-13,23-25,27-30,37H,9-11,14-22H2,1-5H3/t24-,25+,27+,28-,29+,30+,31+,32-,33+/m1/s1
InChIKey NUMXQQGQOLDWNG-LZQYUXOOSA-N
Literature Reference Author G.K.S.PRAKASH,J.HU,Y.WANG,G.A.OLAH
Literature Reference Citation EUR.J.ORG.CHEM.,2218(2005)
Solvent CDCl3
Source File Reference UWLU39275