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LILIOSIDE-A-PENTA-PARA-BROMOBENZOATE

View entire compound with spectra: 2 NMR

LILIOSIDE-A-PENTA-PARA-BROMOBENZOATE
SpectraBase Compound ID IiIlKGVBkXn
InChI InChI=1S/C46H35Br5O14/c1-25(52)58-22-36(23-59-41(53)26-2-12-31(47)13-3-26)61-46-40(65-45(57)30-10-20-35(51)21-11-30)39(64-44(56)29-8-18-34(50)19-9-29)38(63-43(55)28-6-16-33(49)17-7-28)37(62-46)24-60-42(54)27-4-14-32(48)15-5-27/h2-21,36-40,46H,22-24H2,1H3/t36?,37-,38-,39+,40-,46-/m1/s1
InChIKey YKDFVJBLQYTQGL-GQSPIAEYSA-N
Mol Weight 1211.3 g/mol
Molecular Formula C46H35Br5O14
Exact Mass 1205.794371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9x7oUobIyPj
Name 1-O-ACETYL-3-O-PARA-BROMOBENZOYL-2-O-(2',3',4',6'-TETRA-O-PARA-BROMOBENZOYL-BETA-D-GLUCOPYRANOSYL)-SN-GYCEROL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H35Br5O14
InChI InChI=1S/C46H35Br5O14/c1-25(52)58-22-36(23-59-41(53)26-2-12-31(47)13-3-26)61-46-40(65-45(57)30-10-20-35(51)21-11-30)39(64-44(56)29-8-18-34(50)19-9-29)38(63-43(55)28-6-16-33(49)17-7-28)37(62-46)24-60-42(54)27-4-14-32(48)15-5-27/h2-21,36-40,46H,22-24H2,1H3/t36?,37-,38-,39+,40-,46-/m1/s1
InChIKey YKDFVJBLQYTQGL-GQSPIAEYSA-N
Literature Reference Author M.KANEDA
Literature Reference Citation PHYTOCHEM.,29,3559(1990)
Literature Reference DOI 10.1016/0031-9422(90)85276-L
Molecular Weight 1211.295 g/mol
Solvent CDCl3
Source File Reference UWLU26866