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LWADLGKMFSHMJZ-AXITZHBMSA-N

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LWADLGKMFSHMJZ-AXITZHBMSA-N
SpectraBase Compound ID lcy41xmsEU
InChI InChI=1S/C44H62N4O12/c1-25(2)33-29-21-27(5)35(41(51)37(29)31(39(49)43(33)53)23-47-45-9-11-57-17-19-59-15-13-55-7)36-28(6)22-30-34(26(3)4)44(54)40(50)32(38(30)42(36)52)24-48-46-10-12-58-18-20-60-16-14-56-8/h21-26,45-46,49-54H,9-20H2,1-8H3/b47-23+,48-24+
InChIKey LWADLGKMFSHMJZ-AXITZHBMSA-N
Mol Weight 839.0 g/mol
Molecular Formula C44H62N4O12
Exact Mass 838.436423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2mumJh4yW7
Name LWADLGKMFSHMJZ-AXITZHBMSA-N
Compound Number H5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H62N4O12
InChI InChI=1S/C44H62N4O12/c1-25(2)33-29-21-27(5)35(41(51)37(29)31(39(49)43(33)53)23-47-45-9-11-57-17-19-59-15-13-55-7)36-28(6)22-30-34(26(3)4)44(54)40(50)32(38(30)42(36)52)24-48-46-10-12-58-18-20-60-16-14-56-8/h21-26,45-46,49-54H,9-20H2,1-8H3/b47-23+,48-24+
InChIKey LWADLGKMFSHMJZ-AXITZHBMSA-N
Literature Reference Author P.PRZYBYLSKI,W.SCHILF,B.KAMIENSKI,B.BRZEZINSKI,F.BARTL
Literature Reference Citation MAGN.RES.CHEM.,46,534(2008)
Literature Reference DOI 10.1002/mrc.2210
Molecular Weight 838.996 g/mol
Solvent SOLID-STATE
Source File Reference UWLU82511