John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EwPZsftxqBp SpectraBase Spectrum ID=28b0FrXNuih

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HEXA-O-METHYLLITHOTHAMMIN_A
SpectraBase Compound ID EwPZsftxqBp
InChI InChI=1S/C40H39Br5N4O10/c1-52-30-19-32-24(41)16-22(30)8-10-47-40(51)29(49-57-6)17-23-31(53-2)18-27(44)38(35(23)45)59-34-15-21(12-26(43)37(34)55-4)13-28(48-56-5)39(50)46-9-7-20-11-25(42)36(54-3)33(14-20)58-32/h11-12,14-16,18-19H,7-10,13,17H2,1-6H3,(H,46,50)(H,47,51)/b48-28+,49-29+
InChIKey KPDPPDLKWOCGQF-GFYXNQJFSA-N
Mol Weight 1135.3 g/mol
Molecular Formula C40H39Br5N4O10
Exact Mass 1129.858299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28b0FrXNuih
Name HEXA-O-METHYLLITHOTHAMMIN_A
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H39Br5N4O10
InChI InChI=1S/C40H39Br5N4O10/c1-52-30-19-32-24(41)16-22(30)8-10-47-40(51)29(49-57-6)17-23-31(53-2)18-27(44)38(35(23)45)59-34-15-21(12-26(43)37(34)55-4)13-28(48-56-5)39(50)46-9-7-20-11-25(42)36(54-3)33(14-20)58-32/h11-12,14-16,18-19H,7-10,13,17H2,1-6H3,(H,46,50)(H,47,51)/b48-28+,49-29+
InChIKey KPDPPDLKWOCGQF-GFYXNQJFSA-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 1135.290 g/mol
Sample ID 38343
Solvent C5D5N
SpectraBase Batch ID 2M4ihYetrh4