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BNGAETANGIMYJA-IRSNNSKSSA-N
SpectraBase Compound ID Ey4zBwosEhT
InChI InChI=1S/C38H52N2O11/c1-7-8-9-10-11-18-31(42)45-22-15-14-17-29-34(51-38(5,6)50-29)36-35(49-37(44)39-26(4)41)33-28(47-33)21-20-24(2)23-30-40-27(25(3)46-30)16-12-13-19-32(43)48-36/h12-14,16-17,19,23,28-29,33-36H,7-11,15,18,20-22H2,1-6H3,(H,39,41,44)/b16-12+,17-14+,19-13-,24-23-/t28-,29+,33+,34+,35-,36+/m1/s1
InChIKey BNGAETANGIMYJA-IRSNNSKSSA-N
Mol Weight 712.8 g/mol
Molecular Formula C38H52N2O11
Exact Mass 712.35711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InMY2hEVawE
Name BNGAETANGIMYJA-IRSNNSKSSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H52N2O11
InChI InChI=1S/C38H52N2O11/c1-7-8-9-10-11-18-31(42)45-22-15-14-17-29-34(51-38(5,6)50-29)36-35(49-37(44)39-26(4)41)33-28(47-33)21-20-24(2)23-30-40-27(25(3)46-30)16-12-13-19-32(43)48-36/h12-14,16-17,19,23,28-29,33-36H,7-11,15,18,20-22H2,1-6H3,(H,39,41,44)/b16-12+,17-14+,19-13-,24-23-/t28-,29+,33+,34+,35-,36+/m1/s1
InChIKey BNGAETANGIMYJA-IRSNNSKSSA-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 712.838 g/mol
Source File Reference UWBT6607