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YFEMCKJGNDBOTB-VALIXWAOSA-N
SpectraBase Compound ID BsFJyDBeY7j
InChI InChI=1S/C42H54O6/c1-22-11-9-13-30-39(22,5)17-15-24(3)41(30,7)20-27-34(45)32-26-19-29(43)33(44)28(37(26)48-38(32)36(47)35(27)46)21-42(8)25(4)16-18-40(6)23(2)12-10-14-31(40)42/h11-12,19,24-25,30-31,43-44,46H,9-10,13-18,20-21H2,1-8H3/t24-,25-,30+,31+,39+,40+,41+,42+/m1/s1
InChIKey YFEMCKJGNDBOTB-VALIXWAOSA-N
Mol Weight 654.9 g/mol
Molecular Formula C42H54O6
Exact Mass 654.392039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kdFrzdeN23
Name YFEMCKJGNDBOTB-VALIXWAOSA-N
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H54O6
InChI InChI=1S/C42H54O6/c1-22-11-9-13-30-39(22,5)17-15-24(3)41(30,7)20-27-34(45)32-26-19-29(43)33(44)28(37(26)48-38(32)36(47)35(27)46)21-42(8)25(4)16-18-40(6)23(2)12-10-14-31(40)42/h11-12,19,24-25,30-31,43-44,46H,9-10,13-18,20-21H2,1-8H3/t24-,25-,30+,31+,39+,40+,41+,42+/m1/s1
InChIKey YFEMCKJGNDBOTB-VALIXWAOSA-N
Literature Reference Author M.STEWART,P.M.FELL,J.W.BLUNT,M.H.G.MUNRO
Literature Reference Citation AUSTR.J.CHEM.,50,341(1997)
Literature Reference DOI 10.1071/C96120
Molecular Weight 654.887 g/mol
Solvent CDCl3
Source File Reference UWCS15597