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KULOLIDE-3;COMFORMER-1
SpectraBase Compound ID J9s0ICKR6KD
InChI InChI=1S/C43H67N5O9/c1-12-13-15-22-32-43(9,10)42(55)46-34(26(4)5)39(52)47(11)35(27(6)7)41(54)56-31(24-29-19-16-14-17-20-29)38(51)48-23-18-21-30(48)36(49)45-33(25(2)3)37(50)44-28(8)40(53)57-32/h14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,1-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32-,33-,34-,35+/m0/s1
InChIKey QFYDXSNSDHTJCX-GEWPGQKGSA-N
Mol Weight 798.0 g/mol
Molecular Formula C43H67N5O9
Exact Mass 797.493879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ICgpH13tGmp
Name KULOLIDE-3;COMFORMER-2
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H67N5O9
InChI InChI=1S/C43H67N5O9/c1-12-13-15-22-32-43(9,10)42(55)46-34(26(4)5)39(52)47(11)35(27(6)7)41(54)56-31(24-29-19-16-14-17-20-29)38(51)48-23-18-21-30(48)36(49)45-33(25(2)3)37(50)44-28(8)40(53)57-32/h14,16-17,19-20,25-28,30-35H,12-13,15,18,21-24H2,1-11H3,(H,44,50)(H,45,49)(H,46,55)/t28-,30-,31-,32-,33-,34-,35+/m0/s1
InChIKey QFYDXSNSDHTJCX-GEWPGQKGSA-N
Literature Reference Author Y.NAKAO,W.Y.YOSHIDA,C.M.SZABO,B.J.BAKER,P.J.SCHEUER
Literature Reference Citation J.ORG.CHEM.,63,3272(1998)
Literature Reference DOI 10.1021/jo9719867
Molecular Weight 798.033 g/mol
Sample ID 37381
Solvent CD3CN