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ENNIATIN_J1;CYClO-(D-HYIV-N-ME-L-VAL-D-HYIV-N-ME-VAL-D-HYIV-N-ME-ALA)
SpectraBase Compound ID F3sVvZKQFcJ
InChI InChI=1S/C31H53N3O9/c1-15(2)21-30(39)42-23(17(5)6)26(35)32(12)20(11)29(38)41-24(18(7)8)27(36)33(13)22(16(3)4)31(40)43-25(19(9)10)28(37)34(21)14/h15-25H,1-14H3/t20-,21-,22-,23+,24+,25+/m0/s1
InChIKey IEUFDXNGDNWAKU-MAKNZWJESA-N
Mol Weight 611.8 g/mol
Molecular Formula C31H53N3O9
Exact Mass 611.37818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1rH5cYBbatZ
Name ENNIATIN_J1;CYClO-(D-HYIV-N-ME-L-VAL-D-HYIV-N-ME-VAL-D-HYIV-N-ME-ALA)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H53N3O9
InChI InChI=1S/C31H53N3O9/c1-15(2)21-30(39)42-23(17(5)6)26(35)32(12)20(11)29(38)41-24(18(7)8)27(36)33(13)22(16(3)4)31(40)43-25(19(9)10)28(37)34(21)14/h15-25H,1-14H3/t20-,21-,22-,23+,24+,25+/m0/s1
InChIKey IEUFDXNGDNWAKU-MAKNZWJESA-N
Literature Reference Author A.POHANKA,K.CAPIEAU,A.BROBERG,J.STENLID,E.STENSTROEM,L.KENNE
Literature Reference Citation J.NAT.PROD.,67,851(2004)
Literature Reference DOI 10.1021/np0340448
Molecular Weight 611.777 g/mol
Solvent CD3OD
Source File Reference UWMZ7226