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RHABDASTIN_D_PARA-BROMOBENZOATE

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RHABDASTIN_D_PARA-BROMOBENZOATE
SpectraBase Compound ID GJqxQk4V4v3
InChI InChI=1S/C39H51BrO6/c1-22(2)27-20-33(46-35(43)25-11-13-26(40)14-12-25)39(9,44)28(27)15-10-23(3)34-29(42)21-31-37(7)19-17-32(45-24(4)41)36(5,6)30(37)16-18-38(31,34)8/h10-15,27-28,30-33,44H,1,16-21H2,2-9H3/b15-10+,34-23+/t27-,28+,30+,31+,32+,33+,37+,38+,39-/m1/s1
InChIKey BIOFDHMDTYLYCE-CZJPXYJQSA-N
Mol Weight 695.7 g/mol
Molecular Formula C39H51BrO6
Exact Mass 694.286902 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BEXWhdtM7Uh
Name RHABDASTIN_D_PARA-BROMOBENZOATE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H51BrO6
InChI InChI=1S/C39H51BrO6/c1-22(2)27-20-33(46-35(43)25-11-13-26(40)14-12-25)39(9,44)28(27)15-10-23(3)34-29(42)21-31-37(7)19-17-32(45-24(4)41)36(5,6)30(37)16-18-38(31,34)8/h10-15,27-28,30-33,44H,1,16-21H2,2-9H3/b15-10+,34-23+/t27-,28+,30+,31+,32+,33+,37+,38+,39-/m1/s1
InChIKey BIOFDHMDTYLYCE-CZJPXYJQSA-N
Literature Reference Author M.HIRASHIMA,K.TSUDA,T.HAMADA,H.OKAMURA,T.FURUKAWA,S.I.AKIYAM A,Y.TAJITSU,R.IKEDA,
Literature Reference Citation J.NAT.PROD.,73,1512(2010)
Literature Reference DOI 10.1021/np100302a
Molecular Weight 695.734 g/mol
Sample ID 36320
Solvent CDCl3