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Deoxy-bouvardin

View entire compound with spectra: 1 NMR

Deoxy-bouvardin
SpectraBase Compound ID 2bjK5dYvStT
InChI InChI=1S/C40H48N6O9/c1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53/h8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)
InChIKey VXVGFMUNENQGFW-UHFFFAOYSA-N
Mol Weight 756.9 g/mol
Molecular Formula C40H48N6O9
Exact Mass 756.348277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdEwlu1Ze8t
Name Deoxy-bouvardin
CAS Registry Number 64725-24-2
Comments SHIFT OF 68.4 PPM REPORTED FOR C8 MUST BE IN ERROR
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H48N6O9
InChI InChI=1S/C40H48N6O9/c1-22-35(48)42-23(2)38(51)44(4)30(18-25-8-13-28(54-7)14-9-25)37(50)43-24(3)39(52)46(6)32-19-26-10-15-29(16-11-26)55-34-21-27(12-17-33(34)47)20-31(36(49)41-22)45(5)40(32)53/h8-17,21-24,30-32,47H,18-20H2,1-7H3,(H,41,49)(H,42,48)(H,43,50)
InChIKey VXVGFMUNENQGFW-UHFFFAOYSA-N
Instrument Name Bruker WM-250
Literature Reference R.B. Bates, J.R. Cole, J.J. Hoffmann, J. Am. Chem. Soc. 105, 1343 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3