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N-DESACETYL-SALARIN-J
SpectraBase Compound ID 7MwEYFjxxLL
InChI InChI=1S/C35H46N2O12/c1-5-6-7-8-9-16-29(42)45-20-13-12-14-25-32(49-35(44)36-23(3)38)34-33(47-25)31-26(46-31)19-18-22(2)21-28(41)37(24(4)39)27(40)15-10-11-17-30(43)48-34/h10-12,14-15,17,21,25-26,31-34H,5-9,13,16,18-20H2,1-4H3,(H,36,38,44)/b14-12+,15-10+,17-11-,22-21-/t25?,26-,31+,32+,33?,34+/m1/s1
InChIKey NJPSMRYHZSYPTE-AEEBDYBZSA-N
Mol Weight 686.8 g/mol
Molecular Formula C35H46N2O12
Exact Mass 686.305075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EIF1jdyPkH4
Name N-DESACETYL-SALARIN-J
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H46N2O12
InChI InChI=1S/C35H46N2O12/c1-5-6-7-8-9-16-29(42)45-20-13-12-14-25-32(49-35(44)36-23(3)38)34-33(47-25)31-26(46-31)19-18-22(2)21-28(41)37(24(4)39)27(40)15-10-11-17-30(43)48-34/h10-12,14-15,17,21,25-26,31-34H,5-9,13,16,18-20H2,1-4H3,(H,36,38,44)/b14-12+,15-10+,17-11-,22-21-/t25?,26-,31+,32+,33?,34+/m1/s1
InChIKey NJPSMRYHZSYPTE-AEEBDYBZSA-N
Literature Reference Author L.G.ZAR,A.BISHARA,M.AKNIN,D.NEUMANN,N.BEN-CALIFA,Y.KASHMAN
Literature Reference Citation MAR.DRUGS,11,4487(2013)
Literature Reference DOI 10.3390/md11114487
Molecular Weight 686.756 g/mol
Source File Reference UWBT6611