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EMARGINATINE-A
SpectraBase Compound ID JtNy4KsBZDv
InChI InChI=1S/C43H50N2O19/c1-19-20(2)37(52)63-34-32(62-38(53)26-13-14-28(51)45(10)16-26)36(61-25(7)50)42(18-56-21(3)46)35(60-24(6)49)31(58-22(4)47)29-33(59-23(5)48)43(42,41(34,9)55)64-40(29,8)17-57-39(54)27-12-11-15-44-30(19)27/h11-16,19-20,29,31-36,55H,17-18H2,1-10H3/t19?,20?,29-,31-,32+,33-,34+,35-,36+,40-,41+,42-,43+/m1/s1
InChIKey QLEWEJBYJKTAKW-AMJPUZTBSA-N
Mol Weight 898.9 g/mol
Molecular Formula C43H50N2O19
Exact Mass 898.300777 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtgrEEptvAl
Name EMARGINATINE-A
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H50N2O19
InChI InChI=1S/C43H50N2O19/c1-19-20(2)37(52)63-34-32(62-38(53)26-13-14-28(51)45(10)16-26)36(61-25(7)50)42(18-56-21(3)46)35(60-24(6)49)31(58-22(4)47)29-33(59-23(5)48)43(42,41(34,9)55)64-40(29,8)17-57-39(54)27-12-11-15-44-30(19)27/h11-16,19-20,29,31-36,55H,17-18H2,1-10H3/t19?,20?,29-,31-,32+,33-,34+,35-,36+,40-,41+,42-,43+/m1/s1
InChIKey QLEWEJBYJKTAKW-AMJPUZTBSA-N
Literature Reference Author Y.H.KUO,J.C.OU,K.H.LEE,C.F.CHEN
Literature Reference Citation J.NAT.PROD.,58,1103(1995)
Literature Reference DOI 10.1021/np50121a022
Molecular Weight 898.872 g/mol
Solvent CDCl3
Source File Reference UWVP6678