John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=dQPaqEHy3p SpectraBase Spectrum ID=28Mz2XhSMWC

(accessed ).
PELARGONIDIN-3-O-(6-O-TRANS-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)-5-O-(6-O-ACETYL-BETA-D-GLUCOPYRANOSIDE)
SpectraBase Compound ID dQPaqEHy3p
InChI InChI=1S/C38H38O18/c1-17(39)50-15-27-30(44)32(46)34(48)37(55-27)53-25-13-22(42)12-24-23(25)14-26(36(52-24)19-5-9-21(41)10-6-19)54-38-35(49)33(47)31(45)28(56-38)16-51-29(43)11-4-18-2-7-20(40)8-3-18/h2-14,27-28,30-35,37-38,44-49H,15-16H2,1H3,(H2-,40,41,42,43)/p+1/t27-,28-,30-,31-,32+,33+,34-,35-,37-,38-/m0/s1
InChIKey NRMCGRZJALTCIN-KQQHSJQISA-O
Mol Weight 783.7 g/mol
Molecular Formula C38H39O18
Exact Mass 783.21364 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28Mz2XhSMWC
Name PELARGONIDIN-3-O-(6-O-TRANS-PARA-COUMAROYL-BETA-D-GLUCOPYRANOSIDE)-5-O-(6-O-ACETYL-BETA-D-GLUCOPYRANOSIDE)
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H39O18
InChI InChI=1S/C38H38O18/c1-17(39)50-15-27-30(44)32(46)34(48)37(55-27)53-25-13-22(42)12-24-23(25)14-26(36(52-24)19-5-9-21(41)10-6-19)54-38-35(49)33(47)31(45)28(56-38)16-51-29(43)11-4-18-2-7-20(40)8-3-18/h2-14,27-28,30-35,37-38,44-49H,15-16H2,1H3,(H2-,40,41,42,43)/p+1/t27-,28-,30-,31-,32+,33+,34-,35-,37-,38-/m0/s1
InChIKey NRMCGRZJALTCIN-KQQHSJQISA-O
Literature Reference Author K.HOSOKAWA,Y.FUKUNAGA,E.FUKUSHI,J.KAWABATA
Literature Reference Citation PHYTOCHEM.,40,567(1995)
Literature Reference DOI 10.1016/0031-9422(95)00312-U
Molecular Weight 783.717 g/mol
Solvent CD3OD:TFA-D=9:1
Source File Reference UWVN3610
SpectraBase Batch ID JapS08DXoCI