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Psammaplysin A

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Psammaplysin A
SpectraBase Compound ID GPUUvb0BGtr
InChI InChI=1S/C21H23Br4N3O6/c1-31-17-14(24)9-21(33-10-15(17)25)19(29)16(28-34-21)20(30)27-5-2-6-32-18-12(22)7-11(3-4-26)8-13(18)23/h7-8,10,19,29H,2-6,9,26H2,1H3,(H,27,30)/t19-,21-/m1/s1
InChIKey XVHHFAJHWSIGJS-TZIWHRDSSA-N
Mol Weight 733.05 g/mol
Molecular Formula C21H23Br4N3O6
Exact Mass 728.832037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLmm039sRHX
Name PSAMMAPLYSIN-A
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23Br4N3O6
InChI InChI=1S/C21H23Br4N3O6/c1-31-17-14(24)9-21(33-10-15(17)25)19(29)16(28-34-21)20(30)27-5-2-6-32-18-12(22)7-11(3-4-26)8-13(18)23/h7-8,10,19,29H,2-6,9,26H2,1H3,(H,27,30)/t19-,21-/m1/s1
InChIKey XVHHFAJHWSIGJS-TZIWHRDSSA-N
Literature Reference Author T.ICHIBA,P.J.SCHEUER,M.KELLY-BORGES
Literature Reference Citation J.ORG.CHEM.,58,4149(1993)
Literature Reference DOI 10.1021/jo00067a062
Molecular Weight 733.046 g/mol
Solvent METHANOL-D4
Source File Reference UWGE2063