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PNYGGTAQUVGFFF-HDHPEANNSA-N
SpectraBase Compound ID GKcjLz1v9DG
InChI InChI=1S/C28H40O14/c1-13(29)33-12-19-21(35-15(3)31)23(36-16(4)32)20(34-14(2)30)17(37-19)10-9-11-18-22-24(40-27(5,6)39-22)25-26(38-18)42-28(7,8)41-25/h9,11,17-26H,10,12H2,1-8H3/b11-9+/t17-,18-,19-,20+,21+,22+,23-,24+,25-,26-/m0/s1
InChIKey PNYGGTAQUVGFFF-HDHPEANNSA-N
Mol Weight 600.6 g/mol
Molecular Formula C28H40O14
Exact Mass 600.241806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7TL7yKjgV6H
Name PNYGGTAQUVGFFF-HDHPEANNSA-N
Compound Number 28-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O14
InChI InChI=1S/C28H40O14/c1-13(29)33-12-19-21(35-15(3)31)23(36-16(4)32)20(34-14(2)30)17(37-19)10-9-11-18-22-24(40-27(5,6)39-22)25-26(38-18)42-28(7,8)41-25/h9,11,17-26H,10,12H2,1-8H3/b11-9+/t17-,18-,19-,20+,21+,22+,23-,24+,25-,26-/m0/s1
InChIKey PNYGGTAQUVGFFF-HDHPEANNSA-N
Literature Reference Author R.ROY,R.DOMINIQUE,S.K.DAS
Literature Reference Citation J.ORG.CHEM.,64,5408(1999)
Literature Reference DOI 10.1021/jo9900984
Molecular Weight 600.617 g/mol
Sample ID 41268
Solvent CDCl3