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MAJOR-DIASTEREOMER
SpectraBase Compound ID HSRijepFUEo
InChI InChI=1S/C35H42F3N3O8S/c1-3-16-34(17-15-23-9-6-5-7-10-23)30(31(45)40-33(20-42,21-43)22-44)29(32(46)49-34)27(4-2)24-11-8-12-26(18-24)41-50(47,48)28-14-13-25(19-39-28)35(36,37)38/h5-14,18-19,27,29-30,41-44H,3-4,15-17,20-22H2,1-2H3,(H,40,45)/t27-,29?,30?,34-/m1/s1
InChIKey PQMQBIIQUBLHMP-YABRCVSVSA-N
Mol Weight 721.8 g/mol
Molecular Formula C35H42F3N3O8S
Exact Mass 721.264471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Py07jsy1HR
Name MAJOR-DIASTEREOMER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H42F3N3O8S
InChI InChI=1S/C35H42F3N3O8S/c1-3-16-34(17-15-23-9-6-5-7-10-23)30(31(45)40-33(20-42,21-43)22-44)29(32(46)49-34)27(4-2)24-11-8-12-26(18-24)41-50(47,48)28-14-13-25(19-39-28)35(36,37)38/h5-14,18-19,27,29-30,41-44H,3-4,15-17,20-22H2,1-2H3,(H,40,45)/t27-,29?,30?,34-/m1/s1
InChIKey PQMQBIIQUBLHMP-YABRCVSVSA-N
Literature Reference Author C.A.BUSACCA,S.CAMPBELL,A.SAHA,J.C.LORENZ,K.GROZINGER,P.J.JON ES,N.GRINBERG,S.SHEN
Literature Reference Citation MAGN.RES.CHEM.,43,1032(2005)
Literature Reference DOI 10.1002/mrc.1672
Molecular Weight 721.789 g/mol
Solvent DMSO
Source File Reference UWLU36500