John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8Epq15udOH6 SpectraBase Spectrum ID=1jiJonDRawD

(accessed ).
PSAMMAPLYSIN_V
SpectraBase Compound ID 8Epq15udOH6
InChI InChI=1S/C37H51Br4N3O7/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/h7-8,22-23,25,35,46H,3-6,9-21,24H2,1-2H3,(H,42,45)(H,43,47)/b8-7-/t35-,37+/m0/s1
InChIKey UNRMXTFSVORBBK-PSKSBWQOSA-N
Mol Weight 969.4 g/mol
Molecular Formula C37H51Br4N3O7
Exact Mass 965.046046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1jiJonDRawD
Name PSAMMAPLYSIN_V
Compound Number 22
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H51Br4N3O7
InChI InChI=1S/C37H51Br4N3O7/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/h7-8,22-23,25,35,46H,3-6,9-21,24H2,1-2H3,(H,42,45)(H,43,47)/b8-7-/t35-,37+/m0/s1
InChIKey UNRMXTFSVORBBK-PSKSBWQOSA-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 969.444 g/mol
Sample ID 41731
Solvent CDCl3
SpectraBase Batch ID GH058k3gdQ2