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Mirubactin
SpectraBase Compound ID DeO3xSiO3qL
InChI InChI=1S/C26H32N6O11/c27-26(28)29-11-3-7-16(30-22(38)14-5-1-9-18(34)20(14)36)23(39)31-17(24(40)41)8-4-12-32(13-33)43-25(42)15-6-2-10-19(35)21(15)37/h1-2,5-6,9-10,13,16-17,34-37H,3-4,7-8,11-12H2,(H,30,38)(H,31,39)(H,40,41)(H4,27,28,29)/t16-,17-/m1/s1
InChIKey JANBVBCLMZUUHR-IAGOWNOFSA-N
Mol Weight 604.6 g/mol
Molecular Formula C26H32N6O11
Exact Mass 604.212906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8y2QrjccgxL
Name MIRUBACTIN
Compound Number 1-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N6O11
InChI InChI=1S/C26H32N6O11/c27-26(28)29-11-3-7-16(30-22(38)14-5-1-9-18(34)20(14)36)23(39)31-17(24(40)41)8-4-12-32(13-33)43-25(42)15-6-2-10-19(35)21(15)37/h1-2,5-6,9-10,13,16-17,34-37H,3-4,7-8,11-12H2,(H,30,38)(H,31,39)(H,40,41)(H4,27,28,29)/t16-,17-/m1/s1
InChIKey JANBVBCLMZUUHR-IAGOWNOFSA-N
Literature Reference Author T.W.GIESSEN,K.B.FRANKE,T.A.KNAPPE,F.I.KRAAS,M.BOSELLO,X.XIE, U.LINNE,M.A.MARAHIEL
Literature Reference Citation J.NAT.PROD.,75,905(2012)
Literature Reference DOI 10.1021/np300046k
Molecular Weight 604.574 g/mol
Sample ID 40408
Solvent DMSO-D6