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PQCYBNZMBOUDOK-CYSUKILVSA-N
SpectraBase Compound ID B9yQqAchOAX
InChI InChI=1S/C36H40O16/c1-41-35-31-29(27-21(45-35)17-43-33(51-27)19-9-5-3-6-10-19)47-23(37)13-14-24(38)48-30-28-22(18-44-34(52-28)20-11-7-4-8-12-20)46-36(42-2)32(30)50-26(40)16-15-25(39)49-31/h3-12,21-22,27-36H,13-18H2,1-2H3/t21-,22-,27-,28-,29+,30+,31-,32-,33-,34-,35+,36+/m1/s1
InChIKey PQCYBNZMBOUDOK-CYSUKILVSA-N
Mol Weight 728.7 g/mol
Molecular Formula C36H40O16
Exact Mass 728.231635 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 679f9GpKcST
Name PQCYBNZMBOUDOK-CYSUKILVSA-N
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40O16
InChI InChI=1S/C36H40O16/c1-41-35-31-29(27-21(45-35)17-43-33(51-27)19-9-5-3-6-10-19)47-23(37)13-14-24(38)48-30-28-22(18-44-34(52-28)20-11-7-4-8-12-20)46-36(42-2)32(30)50-26(40)16-15-25(39)49-31/h3-12,21-22,27-36H,13-18H2,1-2H3/t21-,22-,27-,28-,29+,30+,31-,32-,33-,34-,35+,36+/m1/s1
InChIKey PQCYBNZMBOUDOK-CYSUKILVSA-N
Literature Reference Author M.M.BASSON,M.W.BREDENKAMP,C.W.HOLZAPFEL
Literature Reference Citation TETRAH.LETT.,30,591(1989)
Literature Reference DOI 10.1016/S0040-4039(00)95263-8
Molecular Weight 728.704 g/mol
Solvent CDCl3
Source File Reference UWCS12847