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PSAMMAPLYSIN_O

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PSAMMAPLYSIN_O
SpectraBase Compound ID Lwt0Mqzq60z
InChI InChI=1S/C37H53Br4N3O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-31(45)42-20-18-26-22-27(38)34(28(39)23-26)49-21-16-19-43-36(47)32-35(46)37(51-44-32)24-29(40)33(48-2)30(41)25-50-37/h22-23,25,35,46H,3-21,24H2,1-2H3,(H,42,45)(H,43,47)/t35-,37+/m0/s1
InChIKey WORRFYCEDZYQMO-YBZKQSBQSA-N
Mol Weight 971.5 g/mol
Molecular Formula C37H53Br4N3O7
Exact Mass 967.061703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ZeQFCjTw3A
Name PSAMMAPLYSIN_O
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H53Br4N3O7
InChI InChI=1S/C37H53Br4N3O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-31(45)42-20-18-26-22-27(38)34(28(39)23-26)49-21-16-19-43-36(47)32-35(46)37(51-44-32)24-29(40)33(48-2)30(41)25-50-37/h22-23,25,35,46H,3-21,24H2,1-2H3,(H,42,45)(H,43,47)/t35-,37+/m0/s1
InChIKey WORRFYCEDZYQMO-YBZKQSBQSA-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 971.460 g/mol
Sample ID 41719
Solvent CDCl3