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PYHNQXQLRSCLMD-AEVJBWDXSA-N
SpectraBase Compound ID E5HhKnnNorK
InChI InChI=1S/C38H57NO7/c1-6-7-8-9-12-17-27(2)24-32-25-28(3)18-13-10-16-21-34(45-37(42)31-19-14-11-15-20-31)35(46-38(39)43)23-22-29(4)26-33(40)30(5)36(41)44-32/h10-15,17,19-20,24,28-30,32-35,40H,6-9,16,18,21-23,25-26H2,1-5H3,(H2,39,43)/b13-10+,17-12+,27-24+/t28-,29+,30-,32-,33-,34+,35+/m1/s1
InChIKey PYHNQXQLRSCLMD-AEVJBWDXSA-N
Mol Weight 639.9 g/mol
Molecular Formula C38H57NO7
Exact Mass 639.413503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BJZi2KYZDof
Name PYHNQXQLRSCLMD-AEVJBWDXSA-N
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H57NO7
InChI InChI=1S/C38H57NO7/c1-6-7-8-9-12-17-27(2)24-32-25-28(3)18-13-10-16-21-34(45-37(42)31-19-14-11-15-20-31)35(46-38(39)43)23-22-29(4)26-33(40)30(5)36(41)44-32/h10-15,17,19-20,24,28-30,32-35,40H,6-9,16,18,21-23,25-26H2,1-5H3,(H2,39,43)/b13-10+,17-12+,27-24+/t28-,29+,30-,32-,33-,34+,35+/m1/s1
InChIKey PYHNQXQLRSCLMD-AEVJBWDXSA-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 639.873 g/mol
Source File Reference UWBT6629