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CALAFIANIN
SpectraBase Compound ID JWV6QksH7X8
InChI InChI=1S/C22H20Br2N4O8/c23-9-5-21(17-15(33-17)13(9)29)7-11(27-35-21)19(31)25-3-1-2-4-26-20(32)12-8-22(36-28-12)6-10(24)14(30)16-18(22)34-16/h5-6,15-18H,1-4,7-8H2,(H,25,31)(H,26,32)/t15-,16-,17-,18-,21-,22-/m1/s1
InChIKey OPMAEHVWCSXSKG-GARQETNWSA-N
Mol Weight 628.23 g/mol
Molecular Formula C22H20Br2N4O8
Exact Mass 625.96479 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQA1Ow8dGtp
Name CALAFIANIN
Compound Number 62
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H20Br2N4O8
InChI InChI=1S/C22H20Br2N4O8/c23-9-5-21(17-15(33-17)13(9)29)7-11(27-35-21)19(31)25-3-1-2-4-26-20(32)12-8-22(36-28-12)6-10(24)14(30)16-18(22)34-16/h5-6,15-18H,1-4,7-8H2,(H,25,31)(H,26,32)/t15-,16-,17-,18-,21-,22-/m1/s1
InChIKey OPMAEHVWCSXSKG-GARQETNWSA-N
Literature Reference Author N.S.LIRA,R.C.MONTES,J.F.TAVARES,M.S.D.SILVA,E.V.L.D.CUNHA,P. F.D.ATHAYDE-FILHO
Literature Reference Citation MAR.DRUGS,9,2316(2011)
Literature Reference DOI 10.3390/md9112316
Molecular Weight 628.231 g/mol
Source File Reference UWBT6932