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JDJJTRXDLATSJO-ZECDSMTHSA-N
SpectraBase Compound ID GjVjAx2rIpg
InChI InChI=1S/C39H42N2O7/c1-28(42)40-33-22-12-21-32(24-33)38(43)41-35-34(27-45-23-13-20-29-14-6-3-7-15-29)48-39(44-2)37(47-26-31-18-10-5-11-19-31)36(35)46-25-30-16-8-4-9-17-30/h3-22,24,34-37,39H,23,25-27H2,1-2H3,(H,40,42)(H,41,43)/b20-13+/t34-,35+,36+,37-,39+/m0/s1
InChIKey JDJJTRXDLATSJO-ZECDSMTHSA-N
Mol Weight 650.8 g/mol
Molecular Formula C39H42N2O7
Exact Mass 650.299202 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6vn38WJT6Lh
Name JDJJTRXDLATSJO-ZECDSMTHSA-N
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H42N2O7
InChI InChI=1S/C39H42N2O7/c1-28(42)40-33-22-12-21-32(24-33)38(43)41-35-34(27-45-23-13-20-29-14-6-3-7-15-29)48-39(44-2)37(47-26-31-18-10-5-11-19-31)36(35)46-25-30-16-8-4-9-17-30/h3-22,24,34-37,39H,23,25-27H2,1-2H3,(H,40,42)(H,41,43)/b20-13+/t34-,35+,36+,37-,39+/m0/s1
InChIKey JDJJTRXDLATSJO-ZECDSMTHSA-N
Literature Reference Author D.H.S.LEAL,C.G.QUEIROGA,M.C.PIRES,M.A.F.PRADO,R.J.ALVES,A.CE SAR
Literature Reference Citation QUIM.NOVA,32,2387(2009)
Molecular Weight 650.772 g/mol
Solvent CDCl3
Source File Reference UWBT12038