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PTERULAMIDE_II;(E)-3-(METHYLTHIO)-PROPENOYL-NME-ALA-NME-ILE-NME-VAL-NH-VAL-NME-ILE-NHME
SpectraBase Compound ID 5n44WY74FAC
InChI InChI=1S/C34H62N6O6S/c1-16-22(7)28(30(42)35-10)39(13)33(45)26(20(3)4)36-31(43)27(21(5)6)38(12)34(46)29(23(8)17-2)40(14)32(44)24(9)37(11)25(41)18-19-47-15/h18-24,26-29H,16-17H2,1-15H3,(H,35,42)(H,36,43)/b19-18+/t22-,23+,24+,26+,27+,28+,29+/m1/s1
InChIKey SQFJGWYXJOVACU-OMQUAZARSA-N
Mol Weight 683.0 g/mol
Molecular Formula C34H62N6O6S
Exact Mass 682.445155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 30RqfsZOTjj
Name PTERULAMIDE_II;(E)-3-(METHYLTHIO)-PROPENOYL-NME-ALA-NME-ILE-NME-VAL-NH-VAL-NME-ILE-NHME
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H62N6O6S
InChI InChI=1S/C34H62N6O6S/c1-16-22(7)28(30(42)35-10)39(13)33(45)26(20(3)4)36-31(43)27(21(5)6)38(12)34(46)29(23(8)17-2)40(14)32(44)24(9)37(11)25(41)18-19-47-15/h18-24,26-29H,16-17H2,1-15H3,(H,35,42)(H,36,43)/b19-18+/t22-,23+,24+,26+,27+,28+,29+/m1/s1
InChIKey SQFJGWYXJOVACU-OMQUAZARSA-N
Literature Reference Author G.LANG,M.I.MITOVA,A.L.J.COLE,L.B.DIN,S.VIKINESWARY,N.ABDULLA H,J.W.BLUNT,M.H.G.MU
Literature Reference Citation J.NAT.PROD.,69,1389(2006)
Literature Reference DOI 10.1021/np0600245
Molecular Weight 682.963 g/mol
Solvent CDCl3
Source File Reference UWMZ15737