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Tunichrome B-1 decaacetate

View entire compound with spectra: 2 NMR

Tunichrome B-1 decaacetate
SpectraBase Compound ID Hwy4WQP40y
InChI InChI=1S/C46H45N3O21/c1-21(50)48-35(14-33-19-40(66-26(6)55)44(70-30(10)59)41(20-33)67-27(7)56)46(61)49-34(13-32-17-38(64-24(4)53)43(69-29(9)58)39(18-32)65-25(5)54)45(60)47-12-11-31-15-36(62-22(2)51)42(68-28(8)57)37(16-31)63-23(3)52/h11-13,15-20,35H,14H2,1-10H3,(H,47,60)(H,48,50)(H,49,61)/b12-11+,34-13-
InChIKey KPXMWKIZGKVHRN-YSWVQDOMSA-N
Mol Weight 975.9 g/mol
Molecular Formula C46H45N3O21
Exact Mass 975.254555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID mq0oQINKbZ
Name Tunichrome B-1 decaacetate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C46H45N3O21
InChI InChI=1S/C46H45N3O21/c1-21(50)48-35(14-33-19-40(66-26(6)55)44(70-30(10)59)41(20-33)67-27(7)56)46(61)49-34(13-32-17-38(64-24(4)53)43(69-29(9)58)39(18-32)65-25(5)54)45(60)47-12-11-31-15-36(62-22(2)51)42(68-28(8)57)37(16-31)63-23(3)52/h11-13,15-20,35H,14H2,1-10H3,(H,47,60)(H,48,50)(H,49,61)/b12-11+,34-13-
InChIKey KPXMWKIZGKVHRN-YSWVQDOMSA-N
Literature Reference R.C. Bruening, E.M. Oltz, J. Furukawa, J. Am. Chem. Soc. 107, 5298 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3