John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=6PRCZMtYOY9 SpectraBase Spectrum ID=2ArHS1FfZHY

(accessed ).
1-O-(4-HYDROXYBENZOYL)-2',5-DI-O-GALLOYL-BETA-D-HAMAMELOFURANOSE-PERACETATE
SpectraBase Compound ID 6PRCZMtYOY9
InChI InChI=1S/C45H42O25/c1-20(46)60-32-12-10-29(11-13-32)43(57)69-44-45(70-28(9)54,19-59-42(56)31-16-35(63-23(4)49)39(66-26(7)52)36(17-31)64-24(5)50)40(67-27(8)53)37(68-44)18-58-41(55)30-14-33(61-21(2)47)38(65-25(6)51)34(15-30)62-22(3)48/h10-17,37,40,44H,18-19H2,1-9H3/t37-,40-,44+,45-/m1/s1
InChIKey DLHWDBKIQMWRFP-LAGCSBROSA-N
Mol Weight 982.8 g/mol
Molecular Formula C45H42O25
Exact Mass 982.201518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ArHS1FfZHY
Name 1-O-(4-HYDROXYBENZOYL)-2',5-DI-O-GALLOYL-BETA-D-HAMAMELOFURANOSE-PERACETATE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H42O25
InChI InChI=1S/C45H42O25/c1-20(46)60-32-12-10-29(11-13-32)43(57)69-44-45(70-28(9)54,19-59-42(56)31-16-35(63-23(4)49)39(66-26(7)52)36(17-31)64-24(5)50)40(67-27(8)53)37(68-44)18-58-41(55)30-14-33(61-21(2)47)38(65-25(6)51)34(15-30)62-22(3)48/h10-17,37,40,44H,18-19H2,1-9H3/t37-,40-,44+,45-/m1/s1
InChIKey DLHWDBKIQMWRFP-LAGCSBROSA-N
Literature Reference Author C.HABERLAND,H.KOLODZIEJ
Literature Reference Citation PLANTA.MED.,60,464(1994)
Literature Reference DOI 10.1055/s-2006-959533
Molecular Weight 982.813 g/mol
Solvent CDCl3
Source File Reference UIAP593
SpectraBase Batch ID Jj05K1b79OU