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ENNIATIN_K1;CYClO-(D-HYIV-N-ME-L-VAL-D-HYIV-N-ME-VAL-D-HYIV-N-ME-ABU)
SpectraBase Compound ID BcbpqOmflT0
InChI InChI=1S/C32H55N3O9/c1-15-21-30(39)42-25(19(8)9)28(37)34(13)23(17(4)5)32(41)44-26(20(10)11)29(38)35(14)22(16(2)3)31(40)43-24(18(6)7)27(36)33(21)12/h16-26H,15H2,1-14H3/t21-,22-,23+,24+,25+,26+/m0/s1
InChIKey WOLNKVVWOKWVJB-XOGRSFEHSA-N
Mol Weight 625.8 g/mol
Molecular Formula C32H55N3O9
Exact Mass 625.39383 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99KCgYXMNV3
Name ENNIATIN_K1;CYClO-(D-HYIV-N-ME-L-VAL-D-HYIV-N-ME-VAL-D-HYIV-N-ME-ABU)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H55N3O9
InChI InChI=1S/C32H55N3O9/c1-15-21-30(39)42-25(19(8)9)28(37)34(13)23(17(4)5)32(41)44-26(20(10)11)29(38)35(14)22(16(2)3)31(40)43-24(18(6)7)27(36)33(21)12/h16-26H,15H2,1-14H3/t21-,22-,23+,24+,25+,26+/m0/s1
InChIKey WOLNKVVWOKWVJB-XOGRSFEHSA-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 625.803 g/mol
Solvent CD3OD
Source File Reference UWMZ7227