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VERAGUAMIDE_A
SpectraBase Compound ID FuaBMVOHuPK
InChI InChI=1S/C37H59BrN4O8/c1-12-24(8)31-35(46)42-20-16-17-26(42)33(44)40(10)29(22(4)5)36(47)49-27(18-14-13-15-19-38)25(9)32(43)39-28(21(2)3)34(45)41(11)30(23(6)7)37(48)50-31/h21-31H,12-14,16-18,20H2,1-11H3,(H,39,43)/t24-,25+,26+,27-,28+,29+,30+,31+/m1/s1
InChIKey WWYBIFCBAWCPFI-IBKZOSHASA-N
Mol Weight 767.8 g/mol
Molecular Formula C37H59BrN4O8
Exact Mass 766.351628 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdMEx32LKXd
Name VERAGUAMIDE_A;CYCLO-[N-ME-VAL-PRO-HMPA-N-ME-VAL-VAL-BR-HMOYA]
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H59BrN4O8
InChI InChI=1S/C37H59BrN4O8/c1-12-24(8)31-35(46)42-20-16-17-26(42)33(44)40(10)29(22(4)5)36(47)49-27(18-14-13-15-19-38)25(9)32(43)39-28(21(2)3)34(45)41(11)30(23(6)7)37(48)50-31/h21-31H,12-14,16-18,20H2,1-11H3,(H,39,43)/t24-,25+,26+,27-,28+,29+,30+,31+/m1/s1
InChIKey WWYBIFCBAWCPFI-IBKZOSHASA-N
Literature Reference Author E.MEVERS,W.T.LIU,N.ENGENE,H.MOHIMANI,T.BYRUM,P.A.PEVZNER,P.C .DORRESTEIN,C.SPADAF
Literature Reference Citation J.NAT.PROD.,74,928(2011)
Literature Reference DOI 10.1021/np200077f
Molecular Weight 767.801 g/mol
Sample ID 38036
Solvent CDCl3