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LITHOTHAMMIN_A
SpectraBase Compound ID D3PT3KQp9PH
InChI InChI=1S/C34H27Br5N4O10/c35-18-10-16-2-4-41-34(49)23(43-51)11-17-25(45)12-21(38)32(29(17)39)53-28-9-15(6-20(37)31(28)47)7-22(42-50)33(48)40-3-1-14-5-19(36)30(46)27(8-14)52-26(18)13-24(16)44/h5-6,8-10,12-13,44-47,50-51H,1-4,7,11H2,(H,40,48)(H,41,49)/b42-22+,43-23+
InChIKey ZFSTWMBDMZIGJR-GXABEWBWSA-N
Mol Weight 1051.1 g/mol
Molecular Formula C34H27Br5N4O10
Exact Mass 1045.764408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40bxC54VKe3
Name LITHOTHAMMIN_A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H25Br5N4O10
InChI InChI=1S/C34H27Br5N4O10/c35-18-10-16-2-4-41-34(49)23(43-51)11-17-25(45)12-21(38)32(29(17)39)53-28-9-15(6-20(37)31(28)47)7-22(42-50)33(48)40-3-1-14-5-19(36)30(46)27(8-14)52-26(18)13-24(16)44/h5-6,8-10,12-13,44-47,50-51H,1-4,7,11H2,(H,40,48)(H,41,49)/b42-22+,43-23+
InChIKey ZFSTWMBDMZIGJR-GXABEWBWSA-N
Literature Reference Author A.W.W.VANWYK,K.M.ZUCK,T.C.MCKEE
Literature Reference Citation J.NAT.PROD.,74,1275(2011)
Literature Reference DOI 10.1021/np1006795
Molecular Weight 1049.113 g/mol
Sample ID 38342
Solvent DMSO-D6