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PTERULAMIDE_III;BENZOYL-NME-ALA-NME-ILE-NME-VAL-NH-VAL-NME-ILE-NHME
SpectraBase Compound ID 8RPrTgUsqeq
InChI InChI=1S/C37H62N6O6/c1-15-24(7)30(32(44)38-10)42(13)36(48)28(22(3)4)39-33(45)29(23(5)6)41(12)37(49)31(25(8)16-2)43(14)34(46)26(9)40(11)35(47)27-20-18-17-19-21-27/h17-26,28-31H,15-16H2,1-14H3,(H,38,44)(H,39,45)/t24-,25-,26+,28+,29+,30+,31+/m1/s1
InChIKey VUIRIWVOQOHERQ-MEAWTHIGSA-N
Mol Weight 686.9 g/mol
Molecular Formula C37H62N6O6
Exact Mass 686.473084 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5ayDgGgqVf
Name PTERULAMIDE_III;BENZOYL-NME-ALA-NME-ILE-NME-VAL-NH-VAL-NME-ILE-NHME
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H62N6O6
InChI InChI=1S/C37H62N6O6/c1-15-24(7)30(32(44)38-10)42(13)36(48)28(22(3)4)39-33(45)29(23(5)6)41(12)37(49)31(25(8)16-2)43(14)34(46)26(9)40(11)35(47)27-20-18-17-19-21-27/h17-26,28-31H,15-16H2,1-14H3,(H,38,44)(H,39,45)/t24-,25-,26+,28+,29+,30+,31+/m1/s1
InChIKey VUIRIWVOQOHERQ-MEAWTHIGSA-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 686.936 g/mol
Solvent CDCl3
Source File Reference UWMZ15738