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BEAUVERICIN_G_3

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BEAUVERICIN_G_3
SpectraBase Compound ID BqrEZFbUBIz
InChI InChI=1S/C42H51N3O9/c1-7-34-37(46)43(4)32(26-29-21-15-11-16-22-29)41(50)53-36(9-3)39(48)45(6)33(27-30-23-17-12-18-24-30)42(51)54-35(8-2)38(47)44(5)31(40(49)52-34)25-28-19-13-10-14-20-28/h10-24,31-36H,7-9,25-27H2,1-6H3/t31-,32-,33-,34+,35+,36+/m0/s1
InChIKey FQKAHLJHUHFLAB-FRMKCVIWSA-N
Mol Weight 741.9 g/mol
Molecular Formula C42H51N3O9
Exact Mass 741.36253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yGdZkkEdqf
Name BEAUVERICIN_G_3
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H51N3O9
InChI InChI=1S/C42H51N3O9/c1-7-34-37(46)43(4)32(26-29-21-15-11-16-22-29)41(50)53-36(9-3)39(48)45(6)33(27-30-23-17-12-18-24-30)42(51)54-35(8-2)38(47)44(5)31(40(49)52-34)25-28-19-13-10-14-20-28/h10-24,31-36H,7-9,25-27H2,1-6H3/t31-,32-,33-,34+,35+,36+/m0/s1
InChIKey FQKAHLJHUHFLAB-FRMKCVIWSA-N
Literature Reference Author Y.XU,J.ZHAN,E.M.K.WIJERATNE,A.M.BURNS,A.A.L.GUNATILAKA,I.MOL NAR
Literature Reference Citation J.NAT.PROD.,70,1467(2007)
Literature Reference DOI 10.1021/np070262f
Molecular Weight 741.882 g/mol
Sample ID 31543
Solvent CDCl3