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12-O-MESYL-7-OXO-FERRUGINOL
SpectraBase Compound ID FCSsZwn6CnZ
InChI InChI=1S/C21H30O4S/c1-13(2)14-10-15-16(11-18(14)25-26(6,23)24)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-11,13,19H,7-9,12H2,1-6H3/t19-,21+/m0/s1
InChIKey VSMMZCHWWCUVAR-PZJWPPBQSA-N
Mol Weight 378.53 g/mol
Molecular Formula C21H30O4S
Exact Mass 378.186481 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQoWvxQfd8G
Name 12-O-MESYL-7-OXO-FERRUGINOL
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30O4S
InChI InChI=1S/C21H30O4S/c1-13(2)14-10-15-16(11-18(14)25-26(6,23)24)21(5)9-7-8-20(3,4)19(21)12-17(15)22/h10-11,13,19H,7-9,12H2,1-6H3/t19-,21+/m0/s1
InChIKey VSMMZCHWWCUVAR-PZJWPPBQSA-N
Literature Reference Author M.S.D.CARVALHO,L.H.B.BAPTISTELLA,P.M.IMAMURA
Literature Reference Citation MAGN.RES.CHEM.,46,381(2008)
Literature Reference DOI 10.1002/mrc.2187
Molecular Weight 378.527 g/mol
Solvent CDCl3
Source File Reference UWIR17249