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COCCULOSIDE
SpectraBase Compound ID BONBmR30iD3
InChI InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14+,15-,16+,19?,20-,21-,23+,24-,25-,26+,27+,28-,29-,32-,33-,34+,35+/m0/s1
InChIKey DNZCAZQBJHUVDX-WDIWLOOZSA-N
Mol Weight 792.8 g/mol
Molecular Formula C35H52O20
Exact Mass 792.305194 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BxDu4nftZc9
Name COCCULOSIDE
Compound Number 70
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H52O20
InChI InChI=1S/C35H52O20/c1-6-14-15(8-22(46-3)47-4)17(11-49-32(14)54-34-28(42)26(40)24(38)20(9-36)52-34)31(45)51-19-7-16-18(30(44)48-5)12-50-33(23(16)13(19)2)55-35-29(43)27(41)25(39)21(10-37)53-35/h6,11-16,19-29,32-43H,1,7-10H2,2-5H3/t13-,14+,15-,16+,19?,20-,21-,23+,24-,25-,26+,27+,28-,29-,32-,33-,34+,35+/m0/s1
InChIKey DNZCAZQBJHUVDX-WDIWLOOZSA-N
Literature Reference Author B.DINDA,S.DEBNATH,R.BANIK
Literature Reference Citation CHEM.PHARM.BULL.,59,803(2011)
Literature Reference DOI 10.1248/cpb.59.803
Molecular Weight 792.786 g/mol
Source File Reference UWIR3299