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Isovobtusine

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Isovobtusine
SpectraBase Compound ID IP3YKsK4RDv
InChI InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3
InChIKey IIMPGJMHQMBXKL-UHFFFAOYSA-N
Mol Weight 718.9 g/mol
Molecular Formula C43H50N4O6
Exact Mass 718.373035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ONAk7CFRwD
Name Isovobtusine
CAS Registry Number 59829-32-2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C43H50N4O6
InChI InChI=1S/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3
InChIKey IIMPGJMHQMBXKL-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference Y. Rolland, N. Kunesch, E. Wenkert, J. Org. Chem. 41, 3270 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3