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(REL)-2-(6-BENZOYL-BETA-GLUCOPYRANOSYLOXY)-7-(6-ALPHA-BENZOYLOXY-1-ALPHA,2-ALPHA-DIHYDROXY-5-OXOCYClOHEX-3-ENOYL)-5-HYDROXYBENZYL_ALCOHOL
SpectraBase Compound ID HWVyYmJA3fb
InChI InChI=1S/C34H32O15/c35-21-11-13-23(47-32-28(40)27(39)26(38)24(48-32)17-45-30(41)18-7-3-1-4-8-18)20(15-21)16-46-33(43)34(44)25(37)14-12-22(36)29(34)49-31(42)19-9-5-2-6-10-19/h1-15,24-29,32,35,37-40,44H,16-17H2/t24-,25-,26-,27+,28-,29+,32-,34-/m1/s1
InChIKey CODWRXAXJQXRBN-WYOQVEQZSA-N
Mol Weight 680.6 g/mol
Molecular Formula C34H32O15
Exact Mass 680.17412 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8NJr1FhEUes
Name (REL)-2-(6-BENZOYL-BETA-GLUCOPYRANOSYLOXY)-7-(6-ALPHA-BENZOYLOXY-1-ALPHA,2-ALPHA-DIHYDROXY-5-OXOCYClOHEX-3-ENOYL)-5-HYDROXYBENZYL_ALCOHOL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H32O15
InChI InChI=1S/C34H32O15/c35-21-11-13-23(47-32-28(40)27(39)26(38)24(48-32)17-45-30(41)18-7-3-1-4-8-18)20(15-21)16-46-33(43)34(44)25(37)14-12-22(36)29(34)49-31(42)19-9-5-2-6-10-19/h1-15,24-29,32,35,37-40,44H,16-17H2/t24-,25-,26-,27+,28-,29+,32-,34-/m1/s1
InChIKey CODWRXAXJQXRBN-WYOQVEQZSA-N
Literature Reference Author K.SHAARI,P.G.WATERMAN
Literature Reference Citation PHYTOCHEM.,39,1415(1995)
Literature Reference DOI 10.1016/0031-9422(95)00136-U
Molecular Weight 680.619 g/mol
Solvent C5D5N
Source File Reference UWMZ7843