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4'-O-BETA-D-GLUCOPYRANOSYL-FRUGOSIDE
SpectraBase Compound ID 15c8oVwEf3N
InChI InChI=1S/C35H54O14/c1-16-30(49-32-28(42)26(40)25(39)23(13-36)48-32)27(41)29(43)31(46-16)47-19-5-9-34(15-37)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-24(38)45-14-17/h11,16,18-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t16-,18+,19+,20-,21+,22-,23+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34-,35+/m1/s1
InChIKey OFSZOCPGPLMCBG-GCGUFBOHSA-N
Mol Weight 698.8 g/mol
Molecular Formula C35H54O14
Exact Mass 698.351356 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AWoYvdwxbur
Name 4'-O-BETA-D-GLUCOPYRANOSYL-FRUGOSIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H54O14
InChI InChI=1S/C35H54O14/c1-16-30(49-32-28(42)26(40)25(39)23(13-36)48-32)27(41)29(43)31(46-16)47-19-5-9-34(15-37)18(12-19)3-4-22-21(34)6-8-33(2)20(7-10-35(22,33)44)17-11-24(38)45-14-17/h11,16,18-23,25-32,36-37,39-44H,3-10,12-15H2,1-2H3/t16-,18+,19+,20-,21+,22-,23+,25+,26-,27+,28+,29-,30-,31+,32-,33-,34-,35+/m1/s1
InChIKey OFSZOCPGPLMCBG-GCGUFBOHSA-N
Literature Reference Author F.KIUCHI,Y.FUKAO,T.MARUYAMA,T.OBATA,M.TANAKA,T.SASAKI,M.MIKA GE,M.E.HAQUE,Y.TSUDA
Literature Reference Citation CHEM.PHARM.BULL.,46,528(1998)
Literature Reference DOI 10.1248/cpb.46.528
Molecular Weight 698.805 g/mol
Solvent C5D5N
Source File Reference UWMS6293