John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7GMWST2foFX SpectraBase Spectrum ID=2vgIwKlNVo

(accessed ).
QXWMYYWHFKDXKI-BODQBSMSSA-N
SpectraBase Compound ID 7GMWST2foFX
InChI InChI=1S/C32H33N3O12/c1-18-10-15-24-28(45-24)30(47-31(33)37)29(46-26(36)9-4-3-7-22-19(2)42-25(17-18)34-22)27-23(44-27)8-5-6-16-41-32(38)43-21-13-11-20(12-14-21)35(39)40/h3-5,7-9,11-14,17,23-24,27-30H,6,10,15-16H2,1-2H3,(H2,33,37)/b7-3+,8-5+,9-4-,18-17-/t23-,24+,27-,28-,29-,30+/m0/s1
InChIKey QXWMYYWHFKDXKI-BODQBSMSSA-N
Mol Weight 651.6 g/mol
Molecular Formula C32H33N3O12
Exact Mass 651.206424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vgIwKlNVo
Name QXWMYYWHFKDXKI-BODQBSMSSA-N
Compound Number 24
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H33N3O12
InChI InChI=1S/C32H33N3O12/c1-18-10-15-24-28(45-24)30(47-31(33)37)29(46-26(36)9-4-3-7-22-19(2)42-25(17-18)34-22)27-23(44-27)8-5-6-16-41-32(38)43-21-13-11-20(12-14-21)35(39)40/h3-5,7-9,11-14,17,23-24,27-30H,6,10,15-16H2,1-2H3,(H2,33,37)/b7-3+,8-5+,9-4-,18-17-/t23-,24+,27-,28-,29-,30+/m0/s1
InChIKey QXWMYYWHFKDXKI-BODQBSMSSA-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 651.627 g/mol
Source File Reference UWBT6623
SpectraBase Batch ID 4A9HKvqx8m2