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PSAMMAPLYSIN_J
SpectraBase Compound ID 7kbDtYyr24O
InChI InChI=1S/C21H24Br3N3O7/c1-31-18-13(23)8-21(33-10-14(18)24)19(29)17(27-34-21)20(30)26-5-2-6-32-16-4-3-11(7-12(16)22)15(28)9-25/h3-4,7,10,15,19,28-29H,2,5-6,8-9,25H2,1H3,(H,26,30)/t15?,19-,21-/m0/s1
InChIKey SYPWHFUPHIMWPO-XHRKEWCOSA-N
Mol Weight 670.15 g/mol
Molecular Formula C21H24Br3N3O7
Exact Mass 666.916439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7oblp5j03m
Name PSAMMAPLYSIN_J
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24Br3N3O7
InChI InChI=1S/C21H24Br3N3O7/c1-31-18-13(23)8-21(33-10-14(18)24)19(29)17(27-34-21)20(30)26-5-2-6-32-16-4-3-11(7-12(16)22)15(28)9-25/h3-4,7,10,15,19,28-29H,2,5-6,8-9,25H2,1H3,(H,26,30)/t15?,19-,21-/m0/s1
InChIKey SYPWHFUPHIMWPO-XHRKEWCOSA-N
Literature Reference Author A.D.WRIGHT,P.J.SCHUPP,J.P.SCHROER,A.ENGEMANN,S.ROHDE,D.KELMA N,N.DEVOOGD,A.CARROL
Literature Reference Citation J.NAT.PROD.,75,502(2012)
Literature Reference DOI 10.1021/np200939d
Molecular Weight 670.149 g/mol
Sample ID 40215
Solvent CD3OD