John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2SxGVZN2OJX SpectraBase Spectrum ID=2UW8ekr31Zr

(accessed ).
HETEROBACTIN_S2
SpectraBase Compound ID 2SxGVZN2OJX
InChI InChI=1S/C27H33N7O13S/c28-27(33-24(41)13-4-1-7-17(35)20(13)37)29-10-2-5-15(25(42)30-12-19(36)31-16-6-3-11-34(44)26(16)43)32-23(40)14-8-9-18(48(45,46)47)22(39)21(14)38/h1,4,7-9,15-16,35,37-39,44H,2-3,5-6,10-12H2,(H,30,42)(H,31,36)(H,32,40)(H,45,46,47)(H3,28,29,33,41)/t15-,16+/m1/s1
InChIKey AAZGAWHIAQHAKU-CVEARBPZSA-N
Mol Weight 695.7 g/mol
Molecular Formula C27H33N7O13S
Exact Mass 695.185706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2UW8ekr31Zr
Name HETEROBACTIN_S2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H32N7O13S
InChI InChI=1S/C27H33N7O13S/c28-27(33-24(41)13-4-1-7-17(35)20(13)37)29-10-2-5-15(25(42)30-12-19(36)31-16-6-3-11-34(44)26(16)43)32-23(40)14-8-9-18(48(45,46)47)22(39)21(14)38/h1,4,7-9,15-16,35,37-39,44H,2-3,5-6,10-12H2,(H,30,42)(H,31,36)(H,32,40)(H,45,46,47)(H3,28,29,33,41)/t15-,16+/m1/s1
InChIKey AAZGAWHIAQHAKU-CVEARBPZSA-N
Literature Reference Author M.BOSELLO,M.ZEYADI,F.I.KRAAS,U.LINNE,X.XIE,M.A.MARAHIEL
Literature Reference Citation J.NAT.PROD.,76,2282(2013)
Literature Reference DOI 10.1021/np4006579
Molecular Weight 694.650 g/mol
Solvent DMSO-D6
Source File Reference UWMZ43576
SpectraBase Batch ID 2dKiTnGmnXe