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GSQRUKYRINQRKQ-NCSSQDQDSA-N
SpectraBase Compound ID GKCCaWpVpeJ
InChI InChI=1S/C33H39NO13/c1-15(35)40-14-25-28(42-17(3)37)29(43-18(4)38)30(44-19(5)39)32(46-25)45-24-10-8-21-22-13-20-7-9-23(41-16(2)36)27-26(20)33(21,31(24)47-27)11-12-34(22)6/h7-10,21-22,24-25,28-32H,11-14H2,1-6H3/t21-,22+,24-,25-,28-,29+,30-,31-,32-,33-/m0/s1
InChIKey GSQRUKYRINQRKQ-NCSSQDQDSA-N
Mol Weight 657.7 g/mol
Molecular Formula C33H39NO13
Exact Mass 657.24214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxDHjrP9Cxm
Name GSQRUKYRINQRKQ-NCSSQDQDSA-N
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H39NO13
InChI InChI=1S/C33H39NO13/c1-15(35)40-14-25-28(42-17(3)37)29(43-18(4)38)30(44-19(5)39)32(46-25)45-24-10-8-21-22-13-20-7-9-23(41-16(2)36)27-26(20)33(21,31(24)47-27)11-12-34(22)6/h7-10,21-22,24-25,28-32H,11-14H2,1-6H3/t21-,22+,24-,25-,28-,29+,30-,31-,32-,33-/m0/s1
InChIKey GSQRUKYRINQRKQ-NCSSQDQDSA-N
Literature Reference Author P.KOVAC,K.C.RICE
Literature Reference Citation HETEROCYCLES,41,697(1995)
Literature Reference DOI 10.3987/COM-94-6957
Molecular Weight 657.672 g/mol
Solvent CDCl3
Source File Reference UWCP5736