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BONASPECTIN-C-4''-O-BETA-GLUCOPYRANOSIDE
SpectraBase Compound ID GnC4ju9td2g
InChI InChI=1S/C40H54O15/c1-19(11-22-12-25(45-4)39(26(13-22)46-5)55-40-34(44)33(43)32(42)31(18-41)53-40)52-38-29(49-8)16-24(17-30(38)50-9)36-21(3)20(2)35(54-36)23-14-27(47-6)37(51-10)28(15-23)48-7/h12-17,19-21,31-36,40-44H,11,18H2,1-10H3/t19?,20-,21-,31-,32-,33+,34-,35+,36-,40+/m1/s1
InChIKey CFECAYJMAJRTKH-RQCJPZTNSA-N
Mol Weight 774.9 g/mol
Molecular Formula C40H54O15
Exact Mass 774.346271 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K22lfD7UwK8
Name BONASPECTIN-C-4''-O-BETA-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H54O15
InChI InChI=1S/C40H54O15/c1-19(11-22-12-25(45-4)39(26(13-22)46-5)55-40-34(44)33(43)32(42)31(18-41)53-40)52-38-29(49-8)16-24(17-30(38)50-9)36-21(3)20(2)35(54-36)23-14-27(47-6)37(51-10)28(15-23)48-7/h12-17,19-21,31-36,40-44H,11,18H2,1-10H3/t19?,20-,21-,31-,32-,33+,34-,35+,36-,40+/m1/s1
InChIKey CFECAYJMAJRTKH-RQCJPZTNSA-N
Literature Reference Author B.TOFERN,K.JENETT-SIEMS,K.SIEMS,J.JAKUPOVIC,E.EICH
Literature Reference Citation PHYTOCHEM.,53,119(2000)
Literature Reference DOI 10.1016/S0031-9422(99)00419-7
Molecular Weight 774.860 g/mol
Solvent CDCl3
Source File Reference UWLU1607