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PSAMMAPLYSIN_Q

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PSAMMAPLYSIN_Q
SpectraBase Compound ID 6UFn3UsKoF8
InChI InChI=1S/C35H49Br4N3O7/c1-3-4-5-6-7-8-9-10-11-12-13-15-29(43)40-18-16-24-20-25(36)32(26(37)21-24)47-19-14-17-41-34(45)30-33(44)35(49-42-30)22-27(38)31(46-2)28(39)23-48-35/h20-21,23,33,44H,3-19,22H2,1-2H3,(H,40,43)(H,41,45)/t33-,35+/m0/s1
InChIKey QMBQHDLXXJWIJA-QWOOXDRHSA-N
Mol Weight 943.4 g/mol
Molecular Formula C35H49Br4N3O7
Exact Mass 939.030403 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10lhdr81YPv
Name PSAMMAPLYSIN_Q
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H49Br4N3O7
InChI InChI=1S/C35H49Br4N3O7/c1-3-4-5-6-7-8-9-10-11-12-13-15-29(43)40-18-16-24-20-25(36)32(26(37)21-24)47-19-14-17-41-34(45)30-33(44)35(49-42-30)22-27(38)31(46-2)28(39)23-48-35/h20-21,23,33,44H,3-19,22H2,1-2H3,(H,40,43)(H,41,45)/t33-,35+/m0/s1
InChIKey QMBQHDLXXJWIJA-QWOOXDRHSA-N
Literature Reference Author I.W.MUDIANTA,T.SKINNER-ADAMS,K.T.ANDREWS,R.A.DAVIS,T.A.HADI, P.Y.HAYES,M.J.GARSON
Literature Reference Citation J.NAT.PROD.,75,2132(2012)
Literature Reference DOI 10.1021/np300560b
Molecular Weight 943.406 g/mol
Sample ID 41722
Solvent CDCl3