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(3-AMINO-2-THIOPHENE-CARBOXYLATE)-GOSSYPOL

View entire compound with spectra: 4 NMR

(3-AMINO-2-THIOPHENE-CARBOXYLATE)-GOSSYPOL
SpectraBase Compound ID D9iU7bgkFxM
InChI InChI=1S/C42H40N2O10S2/c1-17(2)27-21-13-19(5)29(35(47)31(21)23(33(45)37(27)49)15-43-25-9-11-55-39(25)41(51)53-7)30-20(6)14-22-28(18(3)4)38(50)34(46)24(32(22)36(30)48)16-44-26-10-12-56-40(26)42(52)54-8/h9-18,43-44,47-50H,1-8H3/b23-15-,24-16-
InChIKey HYNYRDTXIBWZIP-MPKYGIEOSA-N
Mol Weight 796.9 g/mol
Molecular Formula C42H40N2O10S2
Exact Mass 796.212438 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HYOZyFVsjr
Name (3-AMINO-2-THIOPHENE-CARBOXYLATE)-GOSSYPOL
Compound Number S2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H40N2O10S2
InChI InChI=1S/C42H40N2O10S2/c1-17(2)27-21-13-19(5)29(35(47)31(21)23(33(45)37(27)49)15-43-25-9-11-55-39(25)41(51)53-7)30-20(6)14-22-28(18(3)4)38(50)34(46)24(32(22)36(30)48)16-44-26-10-12-56-40(26)42(52)54-8/h9-18,43-44,47-50H,1-8H3/b23-15-,24-16-
InChIKey HYNYRDTXIBWZIP-MPKYGIEOSA-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 796.907 g/mol
Solvent CDCl3
Source File Reference UWLU82519