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LVNJCXGAZBEDFA-UHFFFAOYSA-N
SpectraBase Compound ID 1tsHxF0SZiA
InChI InChI=1S/C27H33N3O6S/c1-17(31)29-16-37-15-23(25(33)28-13-24(32)36-27(2,3)4)30-26(34)35-14-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,22-23H,13-16H2,1-4H3,(H,28,33)(H,29,31)(H,30,34)
InChIKey LVNJCXGAZBEDFA-UHFFFAOYSA-N
Mol Weight 527.6 g/mol
Molecular Formula C27H33N3O6S
Exact Mass 527.209007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ITwWtSL35fu
Name LVNJCXGAZBEDFA-UHFFFAOYSA-N
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H33N3O6S
InChI InChI=1S/C27H33N3O6S/c1-17(31)29-16-37-15-23(25(33)28-13-24(32)36-27(2,3)4)30-26(34)35-14-22-20-11-7-5-9-18(20)19-10-6-8-12-21(19)22/h5-12,22-23H,13-16H2,1-4H3,(H,28,33)(H,29,31)(H,30,34)
InChIKey LVNJCXGAZBEDFA-UHFFFAOYSA-N
Literature Reference Author D.BURG,D.V.FILIPPOV,R.HERMANNS,G.A.V.D.MAREL,J.H.V.BOOM,G.J. MULDER
Literature Reference Citation BIOORG.MED.CHEM.,10,195(2002)
Literature Reference DOI 10.1016/S0968-0896(01)00269-3
Molecular Weight 527.636 g/mol
Solvent CDCl3
Source File Reference UWLU31211