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Aplasmomycin

View entire compound with spectra: 4 NMR

Aplasmomycin
SpectraBase Compound ID 3dpC630LC1Q
InChI InChI=1S/C40H60BO14/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40/h9-12,21-34,42-43H,13-20H2,1-8H3/q-1/b11-9+,12-10+
InChIKey CNRCPKZZPWGOAI-WGDLNXRISA-N
Mol Weight 775.7 g/mol
Molecular Formula C40H60BO14
Exact Mass 775.407612 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FFqM4LRIreK
Name Aplasmomycin
Comments ASSIGNEMENT BY 13C- AND 2D-FEEDING EXPERIMENTS
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C40H60BO14
InChI InChI=1S/C40H60BO14/c1-21-15-17-31-37(5,6)29(42)13-9-11-26-20-28(24(4)47-26)49-36(45)34-40-22(2)16-18-32(51-40)38(7,8)30(43)14-10-12-25-19-27(23(3)46-25)48-35(44)33-39(21,50-31)54-41(52-33,53-34)55-40/h9-12,21-34,42-43H,13-20H2,1-8H3/q-1/b11-9+,12-10+
InChIKey CNRCPKZZPWGOAI-WGDLNXRISA-N
Instrument Name Varian XL-200
Literature Reference J.J. Lee, P.M. Dewick, C.P. Gorst-Allman, J. Am. Chem. Soc. 109, 5426 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3