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THALBRUNINE

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THALBRUNINE
SpectraBase Compound ID KQ7pEyMjAMi
InChI InChI=1S/C39H44N2O8/c1-40-16-14-23-20-31(44-4)32-21-27(23)28(40)18-22-8-11-25(12-9-22)48-35-24(10-13-30(43-3)34(35)42)19-29-33-26(15-17-41(29)2)36(45-5)38(46-6)39(47-7)37(33)49-32/h8-13,20-21,28-29,42H,14-19H2,1-7H3/t28-,29-/m0/s1
InChIKey UKNDEAFFCLWGGJ-VMPREFPWSA-N
Mol Weight 668.8 g/mol
Molecular Formula C39H44N2O8
Exact Mass 668.309766 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GqxtAN4tdqB
Name THALBRUNINE
Compound Number 141
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H44N2O8
InChI InChI=1S/C39H44N2O8/c1-40-16-14-23-20-31(44-4)32-21-27(23)28(40)18-22-8-11-25(12-9-22)48-35-24(10-13-30(43-3)34(35)42)19-29-33-26(15-17-41(29)2)36(45-5)38(46-6)39(47-7)37(33)49-32/h8-13,20-21,28-29,42H,14-19H2,1-7H3/t28-,29-/m0/s1
InChIKey UKNDEAFFCLWGGJ-VMPREFPWSA-N
Literature Reference Author T.A.BROADBENT,E.G.PAUL
Literature Reference Citation HETEROCYCLES,20,863(1983)
Literature Reference DOI 10.3987/R-1983-05-0863
Molecular Weight 668.787 g/mol
Solvent CDCl3
Source File Reference UNIW13204