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PTERULAMIDE_VI;BENZOYL-NME-VAL-NME-VAL-NME-VAL-NH-VAL-NME-ILE-NME-VAL
SpectraBase Compound ID AM7ph7NQvV
InChI InChI=1S/C43H72N6O8/c1-18-29(12)36(42(55)48(16)35(28(10)11)43(56)57)49(17)39(52)31(24(2)3)44-37(50)32(25(4)5)45(13)40(53)34(27(8)9)47(15)41(54)33(26(6)7)46(14)38(51)30-22-20-19-21-23-30/h19-29,31-36H,18H2,1-17H3,(H,44,50)(H,56,57)/t29-,31+,32+,33+,34+,35+,36+/m1/s1
InChIKey OJXSCBQWQXUTTR-WKIAGSKKSA-N
Mol Weight 801.1 g/mol
Molecular Formula C43H72N6O8
Exact Mass 800.541163 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EHLmV9kCR7
Name PTERULAMIDE_VI;BENZOYL-NME-VAL-NME-VAL-NME-VAL-NH-VAL-NME-ILE-NME-VAL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H72N6O8
InChI InChI=1S/C43H72N6O8/c1-18-29(12)36(42(55)48(16)35(28(10)11)43(56)57)49(17)39(52)31(24(2)3)44-37(50)32(25(4)5)45(13)40(53)34(27(8)9)47(15)41(54)33(26(6)7)46(14)38(51)30-22-20-19-21-23-30/h19-29,31-36H,18H2,1-17H3,(H,44,50)(H,56,57)/t29-,31+,32+,33+,34+,35+,36+/m1/s1
InChIKey OJXSCBQWQXUTTR-WKIAGSKKSA-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 801.080 g/mol
Solvent CDCl3
Source File Reference UWMZ15741