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TETRAMETHYLBASTADIN-15
SpectraBase Compound ID IOJXM7hwEWU
InChI InChI=1S/C38H35Br5N4O8/c1-50-35-28(43)15-23-17-30(47-53-4)38(49)44-9-7-21-12-25(40)34(26(41)13-21)55-33-18-22(14-27(42)36(33)51-2)8-10-45-37(48)29(46-52-3)16-20-5-6-31(24(39)11-20)54-32(35)19-23/h5-6,11-15,18-19H,7-10,16-17H2,1-4H3,(H,44,49)(H,45,48)/b46-29+,47-30+
InChIKey QDOXEZDHWABASE-DLYMUGLHSA-N
Mol Weight 1075.2 g/mol
Molecular Formula C38H35Br5N4O8
Exact Mass 1069.837179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FfYIpvs3bLW
Name TETRAMETHYLBASTADIN-15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H35Br5N4O8
InChI InChI=1S/C38H35Br5N4O8/c1-50-35-28(43)15-23-17-30(47-53-4)38(49)44-9-7-21-12-25(40)34(26(41)13-21)55-33-18-22(14-27(42)36(33)51-2)8-10-45-37(48)29(46-52-3)16-20-5-6-31(24(39)11-20)54-32(35)19-23/h5-6,11-15,18-19H,7-10,16-17H2,1-4H3,(H,44,49)(H,45,48)/b46-29+,47-30+
InChIKey QDOXEZDHWABASE-DLYMUGLHSA-N
Literature Reference Author A.F.DEXTER,M.J.GARSON,M.E.HEMLING
Literature Reference Citation J.NAT.PROD.,56,782(1993)
Literature Reference DOI 10.1021/np50095a020
Molecular Weight 1075.238 g/mol
Solvent CDCl3
Source File Reference UWTS1295